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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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/I00-ee791744/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/I00-ee791744/inputs/seq.fa: 1
curr_seq: _GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCAUGACUCCACGUUCGAUCCACUGGCGAGUGCUAGUAGUAGUACUGCUGUUUCGUAGCGGAACACGACGGCCGUGGGACUCCCCCCUUGGUAACAAGGACCCGCGGGGCCAAAAGCCACGUCUCUGACCCGUCGUGUGUGCAAACCCAGCACAGCAGCUUUACUGCGAAAACCACUUUAAGGUGACAUUGAUACUGGUACUCACGCACUGGUG
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 214 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: 1075
n_atoms_counter: 1075
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 214.000000 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: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -850.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.770319 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -832.908039
where:
bonds (distance) C4'-P energy: -207.918
bonds (distance) P-C4' energy: -192.350
flat angles C4'-P-C4' energy: -157.124
flat angles P-C4'-P energy: -179.733
tors. eta vs tors. theta energy: -95.783
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1054.039887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.039887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.039887 (E_RNA)
where:
Base-Base interactions energy: -447.273
where: short stacking energy: -447.265
Base-Backbone interact. energy: 0.991
local terms energy: -607.757795
where:
bonds (distance) C4'-P energy: -119.011
bonds (distance) P-C4' energy: -140.907
flat angles C4'-P-C4' energy: -147.354
flat angles P-C4'-P energy: -86.977
tors. eta vs tors. theta energy: -113.509
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -995.554699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.554699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.554699 (E_RNA)
where:
Base-Base interactions energy: -401.847
where: short stacking energy: -401.847
Base-Backbone interact. energy: -0.047
local terms energy: -593.660141
where:
bonds (distance) C4'-P energy: -146.235
bonds (distance) P-C4' energy: -140.204
flat angles C4'-P-C4' energy: -122.446
flat angles P-C4'-P energy: -79.499
tors. eta vs tors. theta energy: -105.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -929.829517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.829517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.829517 (E_RNA)
where:
Base-Base interactions energy: -368.952
where: short stacking energy: -368.528
Base-Backbone interact. energy: -0.817
local terms energy: -560.059735
where:
bonds (distance) C4'-P energy: -130.571
bonds (distance) P-C4' energy: -148.943
flat angles C4'-P-C4' energy: -118.760
flat angles P-C4'-P energy: -71.083
tors. eta vs tors. theta energy: -90.702
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -885.828428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.828428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.828428 (E_RNA)
where:
Base-Base interactions energy: -348.273
where: short stacking energy: -346.104
Base-Backbone interact. energy: 0.052
local terms energy: -537.607116
where:
bonds (distance) C4'-P energy: -125.413
bonds (distance) P-C4' energy: -130.007
flat angles C4'-P-C4' energy: -132.888
flat angles P-C4'-P energy: -71.547
tors. eta vs tors. theta energy: -77.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -875.149162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.149162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.149162 (E_RNA)
where:
Base-Base interactions energy: -303.648
where: short stacking energy: -303.648
Base-Backbone interact. energy: -0.001
local terms energy: -571.500069
where:
bonds (distance) C4'-P energy: -112.225
bonds (distance) P-C4' energy: -117.073
flat angles C4'-P-C4' energy: -136.015
flat angles P-C4'-P energy: -120.230
tors. eta vs tors. theta energy: -85.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -868.616094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.616094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.616094 (E_RNA)
where:
Base-Base interactions energy: -55.772
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.000
local terms energy: -812.843714
where:
bonds (distance) C4'-P energy: -193.024
bonds (distance) P-C4' energy: -185.373
flat angles C4'-P-C4' energy: -157.187
flat angles P-C4'-P energy: -176.713
tors. eta vs tors. theta energy: -100.547
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -864.504052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.504052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.504052 (E_RNA)
where:
Base-Base interactions energy: -51.127
where: short stacking energy: -51.127
Base-Backbone interact. energy: -0.000
local terms energy: -813.377202
where:
bonds (distance) C4'-P energy: -195.823
bonds (distance) P-C4' energy: -183.741
flat angles C4'-P-C4' energy: -159.024
flat angles P-C4'-P energy: -176.537
tors. eta vs tors. theta energy: -98.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -872.332810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.332810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.332810 (E_RNA)
where:
Base-Base interactions energy: -81.678
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.000
local terms energy: -790.654929
where:
bonds (distance) C4'-P energy: -186.082
bonds (distance) P-C4' energy: -171.193
flat angles C4'-P-C4' energy: -158.335
flat angles P-C4'-P energy: -172.930
tors. eta vs tors. theta energy: -102.114
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -855.314490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.314490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.314490 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.000
local terms energy: -812.765524
where:
bonds (distance) C4'-P energy: -194.187
bonds (distance) P-C4' energy: -185.133
flat angles C4'-P-C4' energy: -158.165
flat angles P-C4'-P energy: -177.653
tors. eta vs tors. theta energy: -97.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -858.773731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.773731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.773731 (E_RNA)
where:
Base-Base interactions energy: -42.945
where: short stacking energy: -42.945
Base-Backbone interact. energy: -0.000
local terms energy: -815.828295
where:
bonds (distance) C4'-P energy: -196.974
bonds (distance) P-C4' energy: -185.137
flat angles C4'-P-C4' energy: -158.713
flat angles P-C4'-P energy: -177.649
tors. eta vs tors. theta energy: -97.357
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1085.390699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.390699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.390699 (E_RNA)
where:
Base-Base interactions energy: -473.269
where: short stacking energy: -465.055
Base-Backbone interact. energy: -0.870
local terms energy: -611.251665
where:
bonds (distance) C4'-P energy: -128.659
bonds (distance) P-C4' energy: -142.710
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -113.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1026.833720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.833720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.833720 (E_RNA)
where:
Base-Base interactions energy: -442.124
where: short stacking energy: -426.793
Base-Backbone interact. energy: -0.828
local terms energy: -583.881575
where:
bonds (distance) C4'-P energy: -129.599
bonds (distance) P-C4' energy: -130.115
flat angles C4'-P-C4' energy: -129.840
flat angles P-C4'-P energy: -94.816
tors. eta vs tors. theta energy: -99.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -944.450484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.450484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.450484 (E_RNA)
where:
Base-Base interactions energy: -411.323
where: short stacking energy: -392.078
Base-Backbone interact. energy: -0.583
local terms energy: -532.544101
where:
bonds (distance) C4'-P energy: -116.811
bonds (distance) P-C4' energy: -125.300
flat angles C4'-P-C4' energy: -125.345
flat angles P-C4'-P energy: -85.245
tors. eta vs tors. theta energy: -79.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -884.308939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.308939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.308939 (E_RNA)
where:
Base-Base interactions energy: -369.677
where: short stacking energy: -351.764
Base-Backbone interact. energy: -0.429
local terms energy: -514.203168
where:
bonds (distance) C4'-P energy: -122.620
bonds (distance) P-C4' energy: -138.472
flat angles C4'-P-C4' energy: -112.744
flat angles P-C4'-P energy: -71.619
tors. eta vs tors. theta energy: -68.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -835.504480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.504480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.504480 (E_RNA)
where:
Base-Base interactions energy: -329.451
where: short stacking energy: -320.256
Base-Backbone interact. energy: -0.773
local terms energy: -505.280503
where:
bonds (distance) C4'-P energy: -123.509
bonds (distance) P-C4' energy: -131.478
flat angles C4'-P-C4' energy: -121.351
flat angles P-C4'-P energy: -70.967
tors. eta vs tors. theta energy: -57.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -713.155252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.155252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.155252 (E_RNA)
where:
Base-Base interactions energy: -286.367
where: short stacking energy: -240.174
Base-Backbone interact. energy: 6.511
local terms energy: -433.299035
where:
bonds (distance) C4'-P energy: -137.133
bonds (distance) P-C4' energy: -111.145
flat angles C4'-P-C4' energy: -109.092
flat angles P-C4'-P energy: -68.305
tors. eta vs tors. theta energy: -7.624
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -701.311146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.311146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.311146 (E_RNA)
where:
Base-Base interactions energy: -282.081
where: short stacking energy: -258.871
Base-Backbone interact. energy: -1.236
local terms energy: -417.993967
where:
bonds (distance) C4'-P energy: -117.520
bonds (distance) P-C4' energy: -108.784
flat angles C4'-P-C4' energy: -111.489
flat angles P-C4'-P energy: -58.118
tors. eta vs tors. theta energy: -22.084
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -695.111546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.111546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.111546 (E_RNA)
where:
Base-Base interactions energy: -283.560
where: short stacking energy: -224.726
Base-Backbone interact. energy: 4.613
local terms energy: -416.164677
where:
bonds (distance) C4'-P energy: -107.891
bonds (distance) P-C4' energy: -118.427
flat angles C4'-P-C4' energy: -111.374
flat angles P-C4'-P energy: -57.165
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -590.298029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.298029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.298029 (E_RNA)
where:
Base-Base interactions energy: -209.367
where: short stacking energy: -194.109
Base-Backbone interact. energy: 5.347
local terms energy: -386.278698
where:
bonds (distance) C4'-P energy: -102.228
bonds (distance) P-C4' energy: -117.887
flat angles C4'-P-C4' energy: -96.476
flat angles P-C4'-P energy: -62.700
tors. eta vs tors. theta energy: -6.988
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -589.919081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.919081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.919081 (E_RNA)
where:
Base-Base interactions energy: -242.677
where: short stacking energy: -176.185
Base-Backbone interact. energy: 1.042
local terms energy: -348.283897
where:
bonds (distance) C4'-P energy: -86.671
bonds (distance) P-C4' energy: -113.990
flat angles C4'-P-C4' energy: -87.186
flat angles P-C4'-P energy: -74.046
tors. eta vs tors. theta energy: 13.608
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1138.676383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.676383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.676383 (E_RNA)
where:
Base-Base interactions energy: -521.252
where: short stacking energy: -505.524
Base-Backbone interact. energy: 0.176
local terms energy: -617.600008
where:
bonds (distance) C4'-P energy: -129.889
bonds (distance) P-C4' energy: -138.528
flat angles C4'-P-C4' energy: -143.727
flat angles P-C4'-P energy: -74.370
tors. eta vs tors. theta energy: -131.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1116.294659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.294659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.294659 (E_RNA)
where:
Base-Base interactions energy: -545.327
where: short stacking energy: -410.293
Base-Backbone interact. energy: -0.837
local terms energy: -570.130772
where:
bonds (distance) C4'-P energy: -122.313
bonds (distance) P-C4' energy: -149.653
flat angles C4'-P-C4' energy: -139.500
flat angles P-C4'-P energy: -81.334
tors. eta vs tors. theta energy: -77.330
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: 4
Temperature: 1.000000
Total energy: -984.725826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.725826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.725826 (E_RNA)
where:
Base-Base interactions energy: -432.343
where: short stacking energy: -390.157
Base-Backbone interact. energy: 2.922
local terms energy: -555.305401
where:
bonds (distance) C4'-P energy: -133.464
bonds (distance) P-C4' energy: -139.943
flat angles C4'-P-C4' energy: -117.692
flat angles P-C4'-P energy: -85.391
tors. eta vs tors. theta energy: -78.816
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -889.974333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.974333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.974333 (E_RNA)
where:
Base-Base interactions energy: -382.557
where: short stacking energy: -365.631
Base-Backbone interact. energy: 2.342
local terms energy: -509.758967
where:
bonds (distance) C4'-P energy: -118.555
bonds (distance) P-C4' energy: -116.942
flat angles C4'-P-C4' energy: -126.298
flat angles P-C4'-P energy: -86.611
tors. eta vs tors. theta energy: -61.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -805.223704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.223704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.223704 (E_RNA)
where:
Base-Base interactions energy: -340.465
where: short stacking energy: -319.131
Base-Backbone interact. energy: -0.985
local terms energy: -463.773557
where:
bonds (distance) C4'-P energy: -110.152
bonds (distance) P-C4' energy: -121.879
flat angles C4'-P-C4' energy: -107.767
flat angles P-C4'-P energy: -82.840
tors. eta vs tors. theta energy: -41.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -774.707219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.707219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.707219 (E_RNA)
where:
Base-Base interactions energy: -344.420
where: short stacking energy: -251.403
Base-Backbone interact. energy: 1.478
local terms energy: -431.765540
where:
bonds (distance) C4'-P energy: -107.253
bonds (distance) P-C4' energy: -127.876
flat angles C4'-P-C4' energy: -105.319
flat angles P-C4'-P energy: -70.737
tors. eta vs tors. theta energy: -20.582
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -808.778632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.778632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.778632 (E_RNA)
where:
Base-Base interactions energy: -412.142
where: short stacking energy: -277.161
Base-Backbone interact. energy: 4.819
local terms energy: -401.455262
where:
bonds (distance) C4'-P energy: -99.014
bonds (distance) P-C4' energy: -133.304
flat angles C4'-P-C4' energy: -102.893
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -26.166
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -641.626269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.626269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.626269 (E_RNA)
where:
Base-Base interactions energy: -243.450
where: short stacking energy: -190.298
Base-Backbone interact. energy: 4.019
local terms energy: -402.195581
where:
bonds (distance) C4'-P energy: -117.694
bonds (distance) P-C4' energy: -124.929
flat angles C4'-P-C4' energy: -82.796
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -13.495
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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -653.804887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.804887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.804887 (E_RNA)
where:
Base-Base interactions energy: -315.148
where: short stacking energy: -206.308
Base-Backbone interact. energy: 1.099
local terms energy: -339.756038
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -109.237
flat angles C4'-P-C4' energy: -101.625
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: 11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -614.136901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.136901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.136901 (E_RNA)
where:
Base-Base interactions energy: -270.746
where: short stacking energy: -186.746
Base-Backbone interact. energy: -0.629
local terms energy: -342.762433
where:
bonds (distance) C4'-P energy: -105.299
bonds (distance) P-C4' energy: -122.449
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: 9.411
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1118.165954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.165954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.165954 (E_RNA)
where:
Base-Base interactions energy: -527.197
where: short stacking energy: -457.467
Base-Backbone interact. energy: -1.116
local terms energy: -589.853016
where:
bonds (distance) C4'-P energy: -129.032
bonds (distance) P-C4' energy: -136.229
flat angles C4'-P-C4' energy: -135.842
flat angles P-C4'-P energy: -85.632
tors. eta vs tors. theta energy: -103.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1167.158865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.158865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.158865 (E_RNA)
where:
Base-Base interactions energy: -600.372
where: short stacking energy: -436.358
Base-Backbone interact. energy: -2.905
local terms energy: -563.881361
where:
bonds (distance) C4'-P energy: -127.635
bonds (distance) P-C4' energy: -136.809
flat angles C4'-P-C4' energy: -128.906
flat angles P-C4'-P energy: -67.809
tors. eta vs tors. theta energy: -102.723
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1017.373720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.373720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.373720 (E_RNA)
where:
Base-Base interactions energy: -467.135
where: short stacking energy: -379.287
Base-Backbone interact. energy: 0.349
local terms energy: -550.587619
where:
bonds (distance) C4'-P energy: -128.907
bonds (distance) P-C4' energy: -134.471
flat angles C4'-P-C4' energy: -126.815
flat angles P-C4'-P energy: -84.906
tors. eta vs tors. theta energy: -75.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -882.117234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.117234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.117234 (E_RNA)
where:
Base-Base interactions energy: -354.243
where: short stacking energy: -318.085
Base-Backbone interact. energy: -1.808
local terms energy: -526.065499
where:
bonds (distance) C4'-P energy: -116.574
bonds (distance) P-C4' energy: -137.005
flat angles C4'-P-C4' energy: -130.604
flat angles P-C4'-P energy: -81.490
tors. eta vs tors. theta energy: -60.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -863.172216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.172216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.172216 (E_RNA)
where:
Base-Base interactions energy: -396.171
where: short stacking energy: -325.061
Base-Backbone interact. energy: -0.365
local terms energy: -466.635433
where:
bonds (distance) C4'-P energy: -121.306
bonds (distance) P-C4' energy: -130.447
flat angles C4'-P-C4' energy: -103.937
flat angles P-C4'-P energy: -61.553
tors. eta vs tors. theta energy: -49.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -913.579614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.579614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.579614 (E_RNA)
where:
Base-Base interactions energy: -450.366
where: short stacking energy: -313.474
Base-Backbone interact. energy: 13.310
local terms energy: -476.523796
where:
bonds (distance) C4'-P energy: -106.939
bonds (distance) P-C4' energy: -136.860
flat angles C4'-P-C4' energy: -122.665
flat angles P-C4'-P energy: -77.770
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -714.624443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.624443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.624443 (E_RNA)
where:
Base-Base interactions energy: -292.757
where: short stacking energy: -214.422
Base-Backbone interact. energy: 0.064
local terms energy: -421.932124
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -115.108
flat angles C4'-P-C4' energy: -108.724
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -7.956
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: 5
Temperature: 1.250000
Total energy: -642.907322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.907322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.907322 (E_RNA)
where:
Base-Base interactions energy: -268.183
where: short stacking energy: -193.738
Base-Backbone interact. energy: -4.036
local terms energy: -370.688025
where:
bonds (distance) C4'-P energy: -104.698
bonds (distance) P-C4' energy: -115.995
flat angles C4'-P-C4' energy: -102.838
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: 5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -543.672636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.672636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.672636 (E_RNA)
where:
Base-Base interactions energy: -223.129
where: short stacking energy: -187.855
Base-Backbone interact. energy: 3.378
local terms energy: -323.921141
where:
bonds (distance) C4'-P energy: -106.576
bonds (distance) P-C4' energy: -106.957
flat angles C4'-P-C4' energy: -76.217
flat angles P-C4'-P energy: -51.893
tors. eta vs tors. theta energy: 17.722
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -585.583589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.583589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.583589 (E_RNA)
where:
Base-Base interactions energy: -247.520
where: short stacking energy: -159.751
Base-Backbone interact. energy: 2.220
local terms energy: -340.283475
where:
bonds (distance) C4'-P energy: -92.695
bonds (distance) P-C4' energy: -120.463
flat angles C4'-P-C4' energy: -84.055
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1339.263431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.263431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.263431 (E_RNA)
where:
Base-Base interactions energy: -736.155
where: short stacking energy: -479.155
Base-Backbone interact. energy: -4.855
local terms energy: -598.252762
where:
bonds (distance) C4'-P energy: -126.655
bonds (distance) P-C4' energy: -126.523
flat angles C4'-P-C4' energy: -151.823
flat angles P-C4'-P energy: -85.367
tors. eta vs tors. theta energy: -107.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1158.753212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.753212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.753212 (E_RNA)
where:
Base-Base interactions energy: -588.936
where: short stacking energy: -423.077
Base-Backbone interact. energy: 0.072
local terms energy: -569.889098
where:
bonds (distance) C4'-P energy: -122.383
bonds (distance) P-C4' energy: -133.120
flat angles C4'-P-C4' energy: -131.604
flat angles P-C4'-P energy: -95.731
tors. eta vs tors. theta energy: -87.051
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: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1043.290444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.290444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.290444 (E_RNA)
where:
Base-Base interactions energy: -507.482
where: short stacking energy: -388.307
Base-Backbone interact. energy: 2.653
local terms energy: -538.462109
where:
bonds (distance) C4'-P energy: -130.591
bonds (distance) P-C4' energy: -122.302
flat angles C4'-P-C4' energy: -132.967
flat angles P-C4'-P energy: -78.492
tors. eta vs tors. theta energy: -74.110
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: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -925.637553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.637553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.637553 (E_RNA)
where:
Base-Base interactions energy: -403.291
where: short stacking energy: -339.489
Base-Backbone interact. energy: -1.243
local terms energy: -521.102840
where:
bonds (distance) C4'-P energy: -118.671
bonds (distance) P-C4' energy: -129.118
flat angles C4'-P-C4' energy: -114.636
flat angles P-C4'-P energy: -88.882
tors. eta vs tors. theta energy: -69.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -917.822139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.822139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.822139 (E_RNA)
where:
Base-Base interactions energy: -441.646
where: short stacking energy: -309.178
Base-Backbone interact. energy: 0.084
local terms energy: -476.260152
where:
bonds (distance) C4'-P energy: -124.042
bonds (distance) P-C4' energy: -126.850
flat angles C4'-P-C4' energy: -108.138
flat angles P-C4'-P energy: -73.381
tors. eta vs tors. theta energy: -43.849
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: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -950.745098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.745098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.745098 (E_RNA)
where:
Base-Base interactions energy: -503.340
where: short stacking energy: -303.491
Base-Backbone interact. energy: -0.489
local terms energy: -446.915851
where:
bonds (distance) C4'-P energy: -129.316
bonds (distance) P-C4' energy: -115.074
flat angles C4'-P-C4' energy: -94.964
flat angles P-C4'-P energy: -60.456
tors. eta vs tors. theta energy: -47.106
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: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -740.887645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.887645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.887645 (E_RNA)
where:
Base-Base interactions energy: -334.777
where: short stacking energy: -223.909
Base-Backbone interact. energy: -2.507
local terms energy: -403.604002
where:
bonds (distance) C4'-P energy: -111.630
bonds (distance) P-C4' energy: -110.410
flat angles C4'-P-C4' energy: -109.429
flat angles P-C4'-P energy: -70.639
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -610.822358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.822358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.822358 (E_RNA)
where:
Base-Base interactions energy: -228.632
where: short stacking energy: -164.339
Base-Backbone interact. energy: -0.611
local terms energy: -381.579314
where:
bonds (distance) C4'-P energy: -106.609
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -115.612
flat angles P-C4'-P energy: -36.743
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -666.937748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.937748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.937748 (E_RNA)
where:
Base-Base interactions energy: -283.533
where: short stacking energy: -198.108
Base-Backbone interact. energy: -0.129
local terms energy: -383.276392
where:
bonds (distance) C4'-P energy: -103.485
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -106.010
flat angles P-C4'-P energy: -51.086
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -524.543534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.543534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.543534 (E_RNA)
where:
Base-Base interactions energy: -208.287
where: short stacking energy: -165.780
Base-Backbone interact. energy: 10.820
local terms energy: -327.076400
where:
bonds (distance) C4'-P energy: -109.741
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -101.533
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: 16.779
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: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1364.537002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.537002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.537002 (E_RNA)
where:
Base-Base interactions energy: -766.039
where: short stacking energy: -495.980
Base-Backbone interact. energy: -1.569
local terms energy: -596.928260
where:
bonds (distance) C4'-P energy: -126.909
bonds (distance) P-C4' energy: -143.389
flat angles C4'-P-C4' energy: -123.157
flat angles P-C4'-P energy: -86.446
tors. eta vs tors. theta energy: -117.028
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: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1188.760197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.760197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.760197 (E_RNA)
where:
Base-Base interactions energy: -614.230
where: short stacking energy: -460.093
Base-Backbone interact. energy: -0.713
local terms energy: -573.817356
where:
bonds (distance) C4'-P energy: -131.306
bonds (distance) P-C4' energy: -134.355
flat angles C4'-P-C4' energy: -141.813
flat angles P-C4'-P energy: -83.696
tors. eta vs tors. theta energy: -82.647
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1120.477784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.477784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.477784 (E_RNA)
where:
Base-Base interactions energy: -608.431
where: short stacking energy: -368.000
Base-Backbone interact. energy: -0.684
local terms energy: -511.362435
where:
bonds (distance) C4'-P energy: -113.186
bonds (distance) P-C4' energy: -129.108
flat angles C4'-P-C4' energy: -107.721
flat angles P-C4'-P energy: -86.538
tors. eta vs tors. theta energy: -74.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1047.527562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.527562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.527562 (E_RNA)
where:
Base-Base interactions energy: -510.695
where: short stacking energy: -359.679
Base-Backbone interact. energy: 0.647
local terms energy: -537.478978
where:
bonds (distance) C4'-P energy: -112.640
bonds (distance) P-C4' energy: -130.427
flat angles C4'-P-C4' energy: -130.892
flat angles P-C4'-P energy: -85.655
tors. eta vs tors. theta energy: -77.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -868.509798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.509798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.509798 (E_RNA)
where:
Base-Base interactions energy: -390.223
where: short stacking energy: -308.389
Base-Backbone interact. energy: -2.316
local terms energy: -475.970770
where:
bonds (distance) C4'-P energy: -124.409
bonds (distance) P-C4' energy: -134.194
flat angles C4'-P-C4' energy: -115.450
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -62.412
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: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -982.609098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.609098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.609098 (E_RNA)
where:
Base-Base interactions energy: -522.226
where: short stacking energy: -313.002
Base-Backbone interact. energy: -0.209
local terms energy: -460.174178
where:
bonds (distance) C4'-P energy: -127.379
bonds (distance) P-C4' energy: -102.063
flat angles C4'-P-C4' energy: -124.843
flat angles P-C4'-P energy: -59.119
tors. eta vs tors. theta energy: -46.770
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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -785.515609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.515609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.515609 (E_RNA)
where:
Base-Base interactions energy: -396.326
where: short stacking energy: -233.616
Base-Backbone interact. energy: 1.804
local terms energy: -390.993979
where:
bonds (distance) C4'-P energy: -103.836
bonds (distance) P-C4' energy: -135.414
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -712.866771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.866771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.866771 (E_RNA)
where:
Base-Base interactions energy: -341.267
where: short stacking energy: -249.426
Base-Backbone interact. energy: -1.117
local terms energy: -370.483666
where:
bonds (distance) C4'-P energy: -100.847
bonds (distance) P-C4' energy: -95.789
flat angles C4'-P-C4' energy: -100.091
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -575.846025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.846025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.846025 (E_RNA)
where:
Base-Base interactions energy: -214.008
where: short stacking energy: -185.589
Base-Backbone interact. energy: -0.517
local terms energy: -361.321529
where:
bonds (distance) C4'-P energy: -105.614
bonds (distance) P-C4' energy: -101.394
flat angles C4'-P-C4' energy: -97.993
flat angles P-C4'-P energy: -56.846
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -481.784899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.784899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.784899 (E_RNA)
where:
Base-Base interactions energy: -182.009
where: short stacking energy: -159.543
Base-Backbone interact. energy: -0.274
local terms energy: -299.501672
where:
bonds (distance) C4'-P energy: -84.839
bonds (distance) P-C4' energy: -110.375
flat angles C4'-P-C4' energy: -86.793
flat angles P-C4'-P energy: -48.674
tors. eta vs tors. theta energy: 31.180
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1405.522565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.522565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.522565 (E_RNA)
where:
Base-Base interactions energy: -806.586
where: short stacking energy: -506.439
Base-Backbone interact. energy: -1.619
local terms energy: -597.317371
where:
bonds (distance) C4'-P energy: -125.310
bonds (distance) P-C4' energy: -140.118
flat angles C4'-P-C4' energy: -140.728
flat angles P-C4'-P energy: -72.775
tors. eta vs tors. theta energy: -118.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1227.329747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.329747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.329747 (E_RNA)
where:
Base-Base interactions energy: -658.074
where: short stacking energy: -438.531
Base-Backbone interact. energy: 0.874
local terms energy: -570.129227
where:
bonds (distance) C4'-P energy: -119.030
bonds (distance) P-C4' energy: -128.081
flat angles C4'-P-C4' energy: -130.662
flat angles P-C4'-P energy: -83.394
tors. eta vs tors. theta energy: -108.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1240.440890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.440890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.440890 (E_RNA)
where:
Base-Base interactions energy: -691.316
where: short stacking energy: -429.605
Base-Backbone interact. energy: -0.248
local terms energy: -548.876724
where:
bonds (distance) C4'-P energy: -129.050
bonds (distance) P-C4' energy: -130.282
flat angles C4'-P-C4' energy: -125.192
flat angles P-C4'-P energy: -91.882
tors. eta vs tors. theta energy: -72.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1049.650554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.650554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.650554 (E_RNA)
where:
Base-Base interactions energy: -538.613
where: short stacking energy: -379.718
Base-Backbone interact. energy: -2.178
local terms energy: -508.858954
where:
bonds (distance) C4'-P energy: -120.151
bonds (distance) P-C4' energy: -116.183
flat angles C4'-P-C4' energy: -121.133
flat angles P-C4'-P energy: -60.899
tors. eta vs tors. theta energy: -90.493
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: 8
Temperature: 1.100000
Total energy: -972.774990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.774990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.774990 (E_RNA)
where:
Base-Base interactions energy: -496.023
where: short stacking energy: -322.654
Base-Backbone interact. energy: -1.154
local terms energy: -475.597832
where:
bonds (distance) C4'-P energy: -105.201
bonds (distance) P-C4' energy: -134.083
flat angles C4'-P-C4' energy: -120.318
flat angles P-C4'-P energy: -77.789
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -835.567288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.567288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.567288 (E_RNA)
where:
Base-Base interactions energy: -400.448
where: short stacking energy: -279.378
Base-Backbone interact. energy: 0.221
local terms energy: -435.340643
where:
bonds (distance) C4'-P energy: -106.738
bonds (distance) P-C4' energy: -128.008
flat angles C4'-P-C4' energy: -101.465
flat angles P-C4'-P energy: -64.994
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -841.640758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.640758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.640758 (E_RNA)
where:
Base-Base interactions energy: -424.252
where: short stacking energy: -269.596
Base-Backbone interact. energy: 4.123
local terms energy: -421.511820
where:
bonds (distance) C4'-P energy: -110.809
bonds (distance) P-C4' energy: -113.781
flat angles C4'-P-C4' energy: -89.373
flat angles P-C4'-P energy: -75.633
tors. eta vs tors. theta energy: -31.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -715.335222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.335222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.335222 (E_RNA)
where:
Base-Base interactions energy: -298.402
where: short stacking energy: -207.531
Base-Backbone interact. energy: 1.498
local terms energy: -418.430793
where:
bonds (distance) C4'-P energy: -124.119
bonds (distance) P-C4' energy: -137.184
flat angles C4'-P-C4' energy: -105.718
flat angles P-C4'-P energy: -41.643
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -555.501192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.501192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.501192 (E_RNA)
where:
Base-Base interactions energy: -200.753
where: short stacking energy: -174.345
Base-Backbone interact. energy: 3.391
local terms energy: -358.138848
where:
bonds (distance) C4'-P energy: -116.669
bonds (distance) P-C4' energy: -97.360
flat angles C4'-P-C4' energy: -98.553
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -500.179823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.179823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.179823 (E_RNA)
where:
Base-Base interactions energy: -188.390
where: short stacking energy: -158.598
Base-Backbone interact. energy: 0.344
local terms energy: -312.133443
where:
bonds (distance) C4'-P energy: -104.722
bonds (distance) P-C4' energy: -120.937
flat angles C4'-P-C4' energy: -76.447
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: 20.353
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: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1441.886474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.886474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.886474 (E_RNA)
where:
Base-Base interactions energy: -801.197
where: short stacking energy: -539.382
Base-Backbone interact. energy: -2.512
local terms energy: -638.177702
where:
bonds (distance) C4'-P energy: -132.706
bonds (distance) P-C4' energy: -126.965
flat angles C4'-P-C4' energy: -143.135
flat angles P-C4'-P energy: -89.836
tors. eta vs tors. theta energy: -145.535
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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1364.602477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.602477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.602477 (E_RNA)
where:
Base-Base interactions energy: -786.580
where: short stacking energy: -475.942
Base-Backbone interact. energy: -0.813
local terms energy: -577.209702
where:
bonds (distance) C4'-P energy: -133.506
bonds (distance) P-C4' energy: -122.239
flat angles C4'-P-C4' energy: -128.472
flat angles P-C4'-P energy: -73.409
tors. eta vs tors. theta energy: -119.583
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: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1151.501805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.501805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.501805 (E_RNA)
where:
Base-Base interactions energy: -597.674
where: short stacking energy: -414.948
Base-Backbone interact. energy: 4.953
local terms energy: -558.779942
where:
bonds (distance) C4'-P energy: -124.320
bonds (distance) P-C4' energy: -123.112
flat angles C4'-P-C4' energy: -128.777
flat angles P-C4'-P energy: -82.961
tors. eta vs tors. theta energy: -99.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1153.093635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.093635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.093635 (E_RNA)
where:
Base-Base interactions energy: -615.326
where: short stacking energy: -393.716
Base-Backbone interact. energy: -3.108
local terms energy: -534.659354
where:
bonds (distance) C4'-P energy: -131.017
bonds (distance) P-C4' energy: -117.248
flat angles C4'-P-C4' energy: -126.197
flat angles P-C4'-P energy: -81.916
tors. eta vs tors. theta energy: -78.281
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: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1068.979847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.979847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.979847 (E_RNA)
where:
Base-Base interactions energy: -604.348
where: short stacking energy: -318.509
Base-Backbone interact. energy: 0.294
local terms energy: -464.925670
where:
bonds (distance) C4'-P energy: -128.053
bonds (distance) P-C4' energy: -114.925
flat angles C4'-P-C4' energy: -109.458
flat angles P-C4'-P energy: -61.539
tors. eta vs tors. theta energy: -50.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -984.053606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.053606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.053606 (E_RNA)
where:
Base-Base interactions energy: -478.385
where: short stacking energy: -347.728
Base-Backbone interact. energy: 4.470
local terms energy: -510.138633
where:
bonds (distance) C4'-P energy: -126.671
bonds (distance) P-C4' energy: -123.294
flat angles C4'-P-C4' energy: -124.631
flat angles P-C4'-P energy: -73.164
tors. eta vs tors. theta energy: -62.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -834.124336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.124336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.124336 (E_RNA)
where:
Base-Base interactions energy: -398.093
where: short stacking energy: -281.993
Base-Backbone interact. energy: -0.943
local terms energy: -435.088855
where:
bonds (distance) C4'-P energy: -117.176
bonds (distance) P-C4' energy: -121.619
flat angles C4'-P-C4' energy: -96.792
flat angles P-C4'-P energy: -66.608
tors. eta vs tors. theta energy: -32.893
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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -738.579071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.579071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.579071 (E_RNA)
where:
Base-Base interactions energy: -361.811
where: short stacking energy: -211.192
Base-Backbone interact. energy: -0.006
local terms energy: -376.762730
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -114.759
flat angles C4'-P-C4' energy: -116.787
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -9.001
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: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -610.314472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.314472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.314472 (E_RNA)
where:
Base-Base interactions energy: -267.211
where: short stacking energy: -185.246
Base-Backbone interact. energy: -0.388
local terms energy: -342.715383
where:
bonds (distance) C4'-P energy: -116.574
bonds (distance) P-C4' energy: -108.997
flat angles C4'-P-C4' energy: -86.271
flat angles P-C4'-P energy: -34.311
tors. eta vs tors. theta energy: 3.438
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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -525.832745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.832745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.832745 (E_RNA)
where:
Base-Base interactions energy: -194.837
where: short stacking energy: -165.421
Base-Backbone interact. energy: 1.049
local terms energy: -332.045055
where:
bonds (distance) C4'-P energy: -96.866
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -80.087
flat angles P-C4'-P energy: -61.503
tors. eta vs tors. theta energy: 11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1548.444846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.444846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.444846 (E_RNA)
where:
Base-Base interactions energy: -898.989
where: short stacking energy: -501.032
Base-Backbone interact. energy: -2.669
local terms energy: -646.786185
where:
bonds (distance) C4'-P energy: -136.861
bonds (distance) P-C4' energy: -138.235
flat angles C4'-P-C4' energy: -146.160
flat angles P-C4'-P energy: -101.739
tors. eta vs tors. theta energy: -123.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1375.206890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.206890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.206890 (E_RNA)
where:
Base-Base interactions energy: -781.433
where: short stacking energy: -483.703
Base-Backbone interact. energy: 1.935
local terms energy: -595.708651
where:
bonds (distance) C4'-P energy: -125.284
bonds (distance) P-C4' energy: -137.218
flat angles C4'-P-C4' energy: -117.527
flat angles P-C4'-P energy: -93.777
tors. eta vs tors. theta energy: -121.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1240.140815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.140815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.140815 (E_RNA)
where:
Base-Base interactions energy: -673.760
where: short stacking energy: -428.075
Base-Backbone interact. energy: -2.098
local terms energy: -564.281966
where:
bonds (distance) C4'-P energy: -125.240
bonds (distance) P-C4' energy: -120.009
flat angles C4'-P-C4' energy: -145.469
flat angles P-C4'-P energy: -78.904
tors. eta vs tors. theta energy: -94.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1172.804834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.804834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.804834 (E_RNA)
where:
Base-Base interactions energy: -671.993
where: short stacking energy: -404.594
Base-Backbone interact. energy: 10.464
local terms energy: -511.275420
where:
bonds (distance) C4'-P energy: -116.790
bonds (distance) P-C4' energy: -117.401
flat angles C4'-P-C4' energy: -118.233
flat angles P-C4'-P energy: -70.533
tors. eta vs tors. theta energy: -88.318
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: 10
Temperature: 1.100000
Total energy: -1088.338428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.338428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.338428 (E_RNA)
where:
Base-Base interactions energy: -609.461
where: short stacking energy: -347.746
Base-Backbone interact. energy: -1.770
local terms energy: -477.106649
where:
bonds (distance) C4'-P energy: -108.645
bonds (distance) P-C4' energy: -113.678
flat angles C4'-P-C4' energy: -132.280
flat angles P-C4'-P energy: -80.008
tors. eta vs tors. theta energy: -42.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -988.158196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.158196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.158196 (E_RNA)
where:
Base-Base interactions energy: -542.408
where: short stacking energy: -319.392
Base-Backbone interact. energy: 2.794
local terms energy: -448.544280
where:
bonds (distance) C4'-P energy: -120.256
bonds (distance) P-C4' energy: -128.541
flat angles C4'-P-C4' energy: -102.553
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -49.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -758.251444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.251444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.251444 (E_RNA)
where:
Base-Base interactions energy: -371.366
where: short stacking energy: -264.589
Base-Backbone interact. energy: -0.900
local terms energy: -385.985696
where:
bonds (distance) C4'-P energy: -98.436
bonds (distance) P-C4' energy: -113.772
flat angles C4'-P-C4' energy: -86.206
flat angles P-C4'-P energy: -57.779
tors. eta vs tors. theta energy: -29.793
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -754.671936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.671936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.671936 (E_RNA)
where:
Base-Base interactions energy: -382.321
where: short stacking energy: -248.226
Base-Backbone interact. energy: 5.678
local terms energy: -378.028707
where:
bonds (distance) C4'-P energy: -90.411
bonds (distance) P-C4' energy: -97.887
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -66.821
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -599.650356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.650356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.650356 (E_RNA)
where:
Base-Base interactions energy: -261.768
where: short stacking energy: -189.386
Base-Backbone interact. energy: 5.033
local terms energy: -342.915584
where:
bonds (distance) C4'-P energy: -99.556
bonds (distance) P-C4' energy: -115.208
flat angles C4'-P-C4' energy: -86.954
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: 26.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -610.693413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.693413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.693413 (E_RNA)
where:
Base-Base interactions energy: -261.322
where: short stacking energy: -149.395
Base-Backbone interact. energy: -1.148
local terms energy: -348.223008
where:
bonds (distance) C4'-P energy: -107.782
bonds (distance) P-C4' energy: -111.334
flat angles C4'-P-C4' energy: -80.782
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: 10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1608.472880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.472880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.472880 (E_RNA)
where:
Base-Base interactions energy: -1004.315
where: short stacking energy: -514.136
Base-Backbone interact. energy: -0.347
local terms energy: -603.811631
where:
bonds (distance) C4'-P energy: -133.276
bonds (distance) P-C4' energy: -134.752
flat angles C4'-P-C4' energy: -139.978
flat angles P-C4'-P energy: -80.114
tors. eta vs tors. theta energy: -115.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1489.041563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.041563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.041563 (E_RNA)
where:
Base-Base interactions energy: -846.791
where: short stacking energy: -506.504
Base-Backbone interact. energy: -3.245
local terms energy: -639.005816
where:
bonds (distance) C4'-P energy: -129.056
bonds (distance) P-C4' energy: -134.611
flat angles C4'-P-C4' energy: -144.897
flat angles P-C4'-P energy: -93.725
tors. eta vs tors. theta energy: -136.716
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1241.516821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.516821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.516821 (E_RNA)
where:
Base-Base interactions energy: -687.599
where: short stacking energy: -425.616
Base-Backbone interact. energy: -0.645
local terms energy: -553.273384
where:
bonds (distance) C4'-P energy: -125.852
bonds (distance) P-C4' energy: -132.690
flat angles C4'-P-C4' energy: -119.797
flat angles P-C4'-P energy: -70.699
tors. eta vs tors. theta energy: -104.236
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: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1264.973476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.973476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.973476 (E_RNA)
where:
Base-Base interactions energy: -733.191
where: short stacking energy: -399.978
Base-Backbone interact. energy: -2.536
local terms energy: -529.246126
where:
bonds (distance) C4'-P energy: -112.963
bonds (distance) P-C4' energy: -122.529
flat angles C4'-P-C4' energy: -132.980
flat angles P-C4'-P energy: -90.672
tors. eta vs tors. theta energy: -70.101
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: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1066.684926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.684926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.684926 (E_RNA)
where:
Base-Base interactions energy: -592.144
where: short stacking energy: -343.541
Base-Backbone interact. energy: 1.484
local terms energy: -476.024969
where:
bonds (distance) C4'-P energy: -111.711
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -114.596
flat angles P-C4'-P energy: -65.453
tors. eta vs tors. theta energy: -58.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1063.257710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.257710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.257710 (E_RNA)
where:
Base-Base interactions energy: -586.427
where: short stacking energy: -330.708
Base-Backbone interact. energy: -3.173
local terms energy: -473.657077
where:
bonds (distance) C4'-P energy: -115.529
bonds (distance) P-C4' energy: -124.884
flat angles C4'-P-C4' energy: -114.405
flat angles P-C4'-P energy: -69.880
tors. eta vs tors. theta energy: -48.960
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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -808.636629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.636629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.636629 (E_RNA)
where:
Base-Base interactions energy: -421.417
where: short stacking energy: -240.599
Base-Backbone interact. energy: 1.692
local terms energy: -388.912517
where:
bonds (distance) C4'-P energy: -111.387
bonds (distance) P-C4' energy: -121.490
flat angles C4'-P-C4' energy: -87.787
flat angles P-C4'-P energy: -53.609
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -769.179438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.179438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.179438 (E_RNA)
where:
Base-Base interactions energy: -379.536
where: short stacking energy: -195.510
Base-Backbone interact. energy: 5.025
local terms energy: -394.668643
where:
bonds (distance) C4'-P energy: -116.369
bonds (distance) P-C4' energy: -119.728
flat angles C4'-P-C4' energy: -98.988
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: 0.016
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: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -600.300621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.300621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.300621 (E_RNA)
where:
Base-Base interactions energy: -246.159
where: short stacking energy: -165.637
Base-Backbone interact. energy: -2.546
local terms energy: -351.595940
where:
bonds (distance) C4'-P energy: -114.855
bonds (distance) P-C4' energy: -114.681
flat angles C4'-P-C4' energy: -88.162
flat angles P-C4'-P energy: -58.058
tors. eta vs tors. theta energy: 24.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -635.560744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.560744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.560744 (E_RNA)
where:
Base-Base interactions energy: -305.485
where: short stacking energy: -156.352
Base-Backbone interact. energy: 4.221
local terms energy: -334.296809
where:
bonds (distance) C4'-P energy: -98.103
bonds (distance) P-C4' energy: -128.575
flat angles C4'-P-C4' energy: -92.131
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: 27.148
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: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1629.849332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.849332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.849332 (E_RNA)
where:
Base-Base interactions energy: -999.532
where: short stacking energy: -544.621
Base-Backbone interact. energy: -3.272
local terms energy: -627.045434
where:
bonds (distance) C4'-P energy: -134.461
bonds (distance) P-C4' energy: -129.244
flat angles C4'-P-C4' energy: -135.976
flat angles P-C4'-P energy: -93.718
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: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1480.415795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.415795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.415795 (E_RNA)
where:
Base-Base interactions energy: -857.322
where: short stacking energy: -495.668
Base-Backbone interact. energy: -3.019
local terms energy: -620.074788
where:
bonds (distance) C4'-P energy: -131.778
bonds (distance) P-C4' energy: -139.416
flat angles C4'-P-C4' energy: -143.052
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -120.425
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: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1350.669580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.669580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.669580 (E_RNA)
where:
Base-Base interactions energy: -823.936
where: short stacking energy: -439.379
Base-Backbone interact. energy: 1.537
local terms energy: -528.270329
where:
bonds (distance) C4'-P energy: -108.901
bonds (distance) P-C4' energy: -123.894
flat angles C4'-P-C4' energy: -115.315
flat angles P-C4'-P energy: -83.349
tors. eta vs tors. theta energy: -96.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1156.572198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.572198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.572198 (E_RNA)
where:
Base-Base interactions energy: -625.490
where: short stacking energy: -400.159
Base-Backbone interact. energy: -1.984
local terms energy: -529.097902
where:
bonds (distance) C4'-P energy: -135.224
bonds (distance) P-C4' energy: -112.116
flat angles C4'-P-C4' energy: -127.405
flat angles P-C4'-P energy: -85.657
tors. eta vs tors. theta energy: -68.696
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: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1244.538552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.538552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.538552 (E_RNA)
where:
Base-Base interactions energy: -733.358
where: short stacking energy: -373.328
Base-Backbone interact. energy: 0.939
local terms energy: -512.120417
where:
bonds (distance) C4'-P energy: -101.563
bonds (distance) P-C4' energy: -126.195
flat angles C4'-P-C4' energy: -125.536
flat angles P-C4'-P energy: -88.370
tors. eta vs tors. theta energy: -70.457
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: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1085.840735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.840735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.840735 (E_RNA)
where:
Base-Base interactions energy: -625.077
where: short stacking energy: -360.256
Base-Backbone interact. energy: -2.230
local terms energy: -458.533932
where:
bonds (distance) C4'-P energy: -115.131
bonds (distance) P-C4' energy: -106.490
flat angles C4'-P-C4' energy: -94.668
flat angles P-C4'-P energy: -73.578
tors. eta vs tors. theta energy: -68.667
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: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -868.268439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.268439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.268439 (E_RNA)
where:
Base-Base interactions energy: -439.258
where: short stacking energy: -244.738
Base-Backbone interact. energy: 2.134
local terms energy: -431.144392
where:
bonds (distance) C4'-P energy: -134.915
bonds (distance) P-C4' energy: -113.062
flat angles C4'-P-C4' energy: -93.672
flat angles P-C4'-P energy: -54.627
tors. eta vs tors. theta energy: -34.868
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: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -774.285559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.285559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.285559 (E_RNA)
where:
Base-Base interactions energy: -372.575
where: short stacking energy: -199.260
Base-Backbone interact. energy: -3.544
local terms energy: -398.167046
where:
bonds (distance) C4'-P energy: -111.020
bonds (distance) P-C4' energy: -124.668
flat angles C4'-P-C4' energy: -92.646
flat angles P-C4'-P energy: -57.156
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -751.898138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.898138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.898138 (E_RNA)
where:
Base-Base interactions energy: -378.165
where: short stacking energy: -219.315
Base-Backbone interact. energy: -1.139
local terms energy: -372.594801
where:
bonds (distance) C4'-P energy: -120.707
bonds (distance) P-C4' energy: -112.977
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -61.259
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -565.725918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.725918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.725918 (E_RNA)
where:
Base-Base interactions energy: -228.481
where: short stacking energy: -162.613
Base-Backbone interact. energy: 0.779
local terms energy: -338.023737
where:
bonds (distance) C4'-P energy: -106.069
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -85.743
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: 1.227
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: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1617.314176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.314176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.314176 (E_RNA)
where:
Base-Base interactions energy: -1008.441
where: short stacking energy: -559.934
Base-Backbone interact. energy: -3.624
local terms energy: -605.249169
where:
bonds (distance) C4'-P energy: -120.577
bonds (distance) P-C4' energy: -127.188
flat angles C4'-P-C4' energy: -153.040
flat angles P-C4'-P energy: -75.786
tors. eta vs tors. theta energy: -128.658
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: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1508.713787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.713787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.713787 (E_RNA)
where:
Base-Base interactions energy: -882.787
where: short stacking energy: -526.335
Base-Backbone interact. energy: -0.154
local terms energy: -625.772599
where:
bonds (distance) C4'-P energy: -123.408
bonds (distance) P-C4' energy: -138.814
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -81.494
tors. eta vs tors. theta energy: -150.877
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: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1354.728916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.728916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.728916 (E_RNA)
where:
Base-Base interactions energy: -776.148
where: short stacking energy: -424.526
Base-Backbone interact. energy: -3.294
local terms energy: -575.287119
where:
bonds (distance) C4'-P energy: -124.041
bonds (distance) P-C4' energy: -124.081
flat angles C4'-P-C4' energy: -139.626
flat angles P-C4'-P energy: -93.561
tors. eta vs tors. theta energy: -93.979
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: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1359.038603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.038603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.038603 (E_RNA)
where:
Base-Base interactions energy: -806.811
where: short stacking energy: -410.375
Base-Backbone interact. energy: -3.723
local terms energy: -548.504466
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -132.188
flat angles C4'-P-C4' energy: -119.832
flat angles P-C4'-P energy: -86.919
tors. eta vs tors. theta energy: -92.070
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1108.541383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.541383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.541383 (E_RNA)
where:
Base-Base interactions energy: -591.818
where: short stacking energy: -344.206
Base-Backbone interact. energy: 1.332
local terms energy: -518.054954
where:
bonds (distance) C4'-P energy: -131.916
bonds (distance) P-C4' energy: -118.230
flat angles C4'-P-C4' energy: -127.679
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -67.150
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: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1095.935373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.935373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.935373 (E_RNA)
where:
Base-Base interactions energy: -625.320
where: short stacking energy: -340.116
Base-Backbone interact. energy: -3.046
local terms energy: -467.568890
where:
bonds (distance) C4'-P energy: -92.436
bonds (distance) P-C4' energy: -130.585
flat angles C4'-P-C4' energy: -116.023
flat angles P-C4'-P energy: -79.958
tors. eta vs tors. theta energy: -48.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -802.485082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.485082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.485082 (E_RNA)
where:
Base-Base interactions energy: -396.212
where: short stacking energy: -260.967
Base-Backbone interact. energy: -0.619
local terms energy: -405.653346
where:
bonds (distance) C4'-P energy: -105.403
bonds (distance) P-C4' energy: -120.481
flat angles C4'-P-C4' energy: -95.443
flat angles P-C4'-P energy: -63.270
tors. eta vs tors. theta energy: -21.057
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: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -780.847019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.847019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.847019 (E_RNA)
where:
Base-Base interactions energy: -381.750
where: short stacking energy: -231.525
Base-Backbone interact. energy: -0.950
local terms energy: -398.147020
where:
bonds (distance) C4'-P energy: -117.380
bonds (distance) P-C4' energy: -98.051
flat angles C4'-P-C4' energy: -104.509
flat angles P-C4'-P energy: -55.626
tors. eta vs tors. theta energy: -22.581
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: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -748.413687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.413687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.413687 (E_RNA)
where:
Base-Base interactions energy: -376.545
where: short stacking energy: -217.093
Base-Backbone interact. energy: 0.528
local terms energy: -372.397492
where:
bonds (distance) C4'-P energy: -120.377
bonds (distance) P-C4' energy: -104.260
flat angles C4'-P-C4' energy: -97.361
flat angles P-C4'-P energy: -53.316
tors. eta vs tors. theta energy: 2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -555.191457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.191457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.191457 (E_RNA)
where:
Base-Base interactions energy: -207.677
where: short stacking energy: -144.322
Base-Backbone interact. energy: -1.575
local terms energy: -345.939323
where:
bonds (distance) C4'-P energy: -103.705
bonds (distance) P-C4' energy: -113.020
flat angles C4'-P-C4' energy: -116.082
flat angles P-C4'-P energy: -54.242
tors. eta vs tors. theta energy: 41.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1626.640771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.640771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.640771 (E_RNA)
where:
Base-Base interactions energy: -990.706
where: short stacking energy: -564.133
Base-Backbone interact. energy: -2.915
local terms energy: -633.019314
where:
bonds (distance) C4'-P energy: -129.160
bonds (distance) P-C4' energy: -135.123
flat angles C4'-P-C4' energy: -139.896
flat angles P-C4'-P energy: -86.602
tors. eta vs tors. theta energy: -142.238
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: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1543.494032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.494032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.494032 (E_RNA)
where:
Base-Base interactions energy: -902.849
where: short stacking energy: -544.715
Base-Backbone interact. energy: -2.257
local terms energy: -638.387636
where:
bonds (distance) C4'-P energy: -131.222
bonds (distance) P-C4' energy: -131.244
flat angles C4'-P-C4' energy: -140.769
flat angles P-C4'-P energy: -88.957
tors. eta vs tors. theta energy: -146.196
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: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1523.527042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.527042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.527042 (E_RNA)
where:
Base-Base interactions energy: -940.516
where: short stacking energy: -480.967
Base-Backbone interact. energy: 0.736
local terms energy: -583.747061
where:
bonds (distance) C4'-P energy: -111.900
bonds (distance) P-C4' energy: -122.767
flat angles C4'-P-C4' energy: -144.355
flat angles P-C4'-P energy: -81.290
tors. eta vs tors. theta energy: -123.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1319.910629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.910629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.910629 (E_RNA)
where:
Base-Base interactions energy: -796.335
where: short stacking energy: -413.005
Base-Backbone interact. energy: -1.774
local terms energy: -521.801340
where:
bonds (distance) C4'-P energy: -106.521
bonds (distance) P-C4' energy: -117.591
flat angles C4'-P-C4' energy: -126.542
flat angles P-C4'-P energy: -82.821
tors. eta vs tors. theta energy: -88.326
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1335.141047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.141047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.141047 (E_RNA)
where:
Base-Base interactions energy: -796.218
where: short stacking energy: -412.163
Base-Backbone interact. energy: -2.420
local terms energy: -536.502951
where:
bonds (distance) C4'-P energy: -108.989
bonds (distance) P-C4' energy: -125.343
flat angles C4'-P-C4' energy: -132.299
flat angles P-C4'-P energy: -70.080
tors. eta vs tors. theta energy: -99.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1084.888947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.888947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.888947 (E_RNA)
where:
Base-Base interactions energy: -581.720
where: short stacking energy: -332.744
Base-Backbone interact. energy: 4.844
local terms energy: -508.012202
where:
bonds (distance) C4'-P energy: -114.129
bonds (distance) P-C4' energy: -125.834
flat angles C4'-P-C4' energy: -128.534
flat angles P-C4'-P energy: -81.388
tors. eta vs tors. theta energy: -58.127
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -847.253049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.253049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.253049 (E_RNA)
where:
Base-Base interactions energy: -399.294
where: short stacking energy: -250.964
Base-Backbone interact. energy: 2.206
local terms energy: -450.165720
where:
bonds (distance) C4'-P energy: -118.978
bonds (distance) P-C4' energy: -125.299
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: -34.120
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: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -777.859302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.859302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.859302 (E_RNA)
where:
Base-Base interactions energy: -384.341
where: short stacking energy: -230.121
Base-Backbone interact. energy: -2.919
local terms energy: -390.599401
where:
bonds (distance) C4'-P energy: -112.162
bonds (distance) P-C4' energy: -117.679
flat angles C4'-P-C4' energy: -96.126
flat angles P-C4'-P energy: -53.496
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -767.205174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.205174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.205174 (E_RNA)
where:
Base-Base interactions energy: -394.022
where: short stacking energy: -230.659
Base-Backbone interact. energy: 0.675
local terms energy: -373.858062
where:
bonds (distance) C4'-P energy: -84.650
bonds (distance) P-C4' energy: -105.274
flat angles C4'-P-C4' energy: -105.136
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -524.959305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.959305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.959305 (E_RNA)
where:
Base-Base interactions energy: -210.794
where: short stacking energy: -132.144
Base-Backbone interact. energy: -0.718
local terms energy: -313.447083
where:
bonds (distance) C4'-P energy: -107.488
bonds (distance) P-C4' energy: -99.627
flat angles C4'-P-C4' energy: -92.508
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: 32.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1637.471475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.471475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.471475 (E_RNA)
where:
Base-Base interactions energy: -1016.882
where: short stacking energy: -536.393
Base-Backbone interact. energy: -3.806
local terms energy: -616.783671
where:
bonds (distance) C4'-P energy: -126.414
bonds (distance) P-C4' energy: -142.780
flat angles C4'-P-C4' energy: -138.757
flat angles P-C4'-P energy: -84.899
tors. eta vs tors. theta energy: -123.934
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1520.050872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.050872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.050872 (E_RNA)
where:
Base-Base interactions energy: -894.008
where: short stacking energy: -505.065
Base-Backbone interact. energy: 2.268
local terms energy: -628.310138
where:
bonds (distance) C4'-P energy: -139.363
bonds (distance) P-C4' energy: -136.478
flat angles C4'-P-C4' energy: -128.852
flat angles P-C4'-P energy: -92.722
tors. eta vs tors. theta energy: -130.895
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: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1499.835580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.835580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.835580 (E_RNA)
where:
Base-Base interactions energy: -947.314
where: short stacking energy: -488.390
Base-Backbone interact. energy: -0.882
local terms energy: -551.640028
where:
bonds (distance) C4'-P energy: -105.926
bonds (distance) P-C4' energy: -124.658
flat angles C4'-P-C4' energy: -129.968
flat angles P-C4'-P energy: -82.669
tors. eta vs tors. theta energy: -108.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1381.267498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.267498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.267498 (E_RNA)
where:
Base-Base interactions energy: -839.002
where: short stacking energy: -431.591
Base-Backbone interact. energy: 1.035
local terms energy: -543.300609
where:
bonds (distance) C4'-P energy: -118.217
bonds (distance) P-C4' energy: -113.001
flat angles C4'-P-C4' energy: -124.349
flat angles P-C4'-P energy: -78.210
tors. eta vs tors. theta energy: -109.524
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: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1204.972396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.972396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.972396 (E_RNA)
where:
Base-Base interactions energy: -688.197
where: short stacking energy: -367.072
Base-Backbone interact. energy: 2.465
local terms energy: -519.240095
where:
bonds (distance) C4'-P energy: -126.895
bonds (distance) P-C4' energy: -144.075
flat angles C4'-P-C4' energy: -116.545
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -66.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1065.964868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.964868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.964868 (E_RNA)
where:
Base-Base interactions energy: -588.534
where: short stacking energy: -347.534
Base-Backbone interact. energy: -0.065
local terms energy: -477.365315
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -126.018
flat angles C4'-P-C4' energy: -117.828
flat angles P-C4'-P energy: -68.179
tors. eta vs tors. theta energy: -60.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -907.166832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.166832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.166832 (E_RNA)
where:
Base-Base interactions energy: -479.318
where: short stacking energy: -298.016
Base-Backbone interact. energy: 0.400
local terms energy: -428.249150
where:
bonds (distance) C4'-P energy: -98.458
bonds (distance) P-C4' energy: -104.857
flat angles C4'-P-C4' energy: -114.189
flat angles P-C4'-P energy: -68.652
tors. eta vs tors. theta energy: -42.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -828.084097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.084097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.084097 (E_RNA)
where:
Base-Base interactions energy: -424.729
where: short stacking energy: -243.002
Base-Backbone interact. energy: 3.518
local terms energy: -406.872684
where:
bonds (distance) C4'-P energy: -95.593
bonds (distance) P-C4' energy: -117.465
flat angles C4'-P-C4' energy: -111.747
flat angles P-C4'-P energy: -64.624
tors. eta vs tors. theta energy: -17.444
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: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -633.327080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.327080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.327080 (E_RNA)
where:
Base-Base interactions energy: -278.001
where: short stacking energy: -194.669
Base-Backbone interact. energy: -0.261
local terms energy: -355.065562
where:
bonds (distance) C4'-P energy: -90.189
bonds (distance) P-C4' energy: -118.035
flat angles C4'-P-C4' energy: -79.571
flat angles P-C4'-P energy: -68.765
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -547.538234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.538234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.538234 (E_RNA)
where:
Base-Base interactions energy: -211.766
where: short stacking energy: -164.681
Base-Backbone interact. energy: 2.382
local terms energy: -338.154254
where:
bonds (distance) C4'-P energy: -95.700
bonds (distance) P-C4' energy: -119.345
flat angles C4'-P-C4' energy: -97.641
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: 16.920
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: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1664.719695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.719695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.719695 (E_RNA)
where:
Base-Base interactions energy: -1049.551
where: short stacking energy: -562.923
Base-Backbone interact. energy: -1.291
local terms energy: -613.878500
where:
bonds (distance) C4'-P energy: -125.049
bonds (distance) P-C4' energy: -127.692
flat angles C4'-P-C4' energy: -142.593
flat angles P-C4'-P energy: -82.932
tors. eta vs tors. theta energy: -135.613
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1510.956295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.956295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.956295 (E_RNA)
where:
Base-Base interactions energy: -876.507
where: short stacking energy: -519.513
Base-Backbone interact. energy: -1.127
local terms energy: -633.322198
where:
bonds (distance) C4'-P energy: -133.161
bonds (distance) P-C4' energy: -130.080
flat angles C4'-P-C4' energy: -142.507
flat angles P-C4'-P energy: -83.057
tors. eta vs tors. theta energy: -144.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1543.209391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.209391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.209391 (E_RNA)
where:
Base-Base interactions energy: -968.933
where: short stacking energy: -468.203
Base-Backbone interact. energy: -2.708
local terms energy: -571.568623
where:
bonds (distance) C4'-P energy: -115.221
bonds (distance) P-C4' energy: -138.807
flat angles C4'-P-C4' energy: -140.234
flat angles P-C4'-P energy: -63.764
tors. eta vs tors. theta energy: -113.543
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1470.401804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.401804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.401804 (E_RNA)
where:
Base-Base interactions energy: -941.905
where: short stacking energy: -472.131
Base-Backbone interact. energy: -1.787
local terms energy: -526.709881
where:
bonds (distance) C4'-P energy: -100.527
bonds (distance) P-C4' energy: -121.703
flat angles C4'-P-C4' energy: -132.555
flat angles P-C4'-P energy: -84.181
tors. eta vs tors. theta energy: -87.745
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: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1252.908088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.908088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.908088 (E_RNA)
where:
Base-Base interactions energy: -716.451
where: short stacking energy: -415.605
Base-Backbone interact. energy: 1.281
local terms energy: -537.738137
where:
bonds (distance) C4'-P energy: -118.678
bonds (distance) P-C4' energy: -127.982
flat angles C4'-P-C4' energy: -118.523
flat angles P-C4'-P energy: -70.490
tors. eta vs tors. theta energy: -102.065
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: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1014.066965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.066965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.066965 (E_RNA)
where:
Base-Base interactions energy: -543.147
where: short stacking energy: -326.061
Base-Backbone interact. energy: -2.570
local terms energy: -468.350022
where:
bonds (distance) C4'-P energy: -107.278
bonds (distance) P-C4' energy: -128.001
flat angles C4'-P-C4' energy: -117.481
flat angles P-C4'-P energy: -69.762
tors. eta vs tors. theta energy: -45.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -897.175441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.175441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.175441 (E_RNA)
where:
Base-Base interactions energy: -475.821
where: short stacking energy: -284.372
Base-Backbone interact. energy: -2.225
local terms energy: -419.128832
where:
bonds (distance) C4'-P energy: -104.908
bonds (distance) P-C4' energy: -133.937
flat angles C4'-P-C4' energy: -99.363
flat angles P-C4'-P energy: -61.838
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -801.267668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.267668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.267668 (E_RNA)
where:
Base-Base interactions energy: -408.552
where: short stacking energy: -276.747
Base-Backbone interact. energy: 1.461
local terms energy: -394.176938
where:
bonds (distance) C4'-P energy: -100.315
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -100.808
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -32.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -665.927534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.927534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.927534 (E_RNA)
where:
Base-Base interactions energy: -325.275
where: short stacking energy: -196.716
Base-Backbone interact. energy: 0.458
local terms energy: -341.110125
where:
bonds (distance) C4'-P energy: -110.870
bonds (distance) P-C4' energy: -107.611
flat angles C4'-P-C4' energy: -104.096
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: 19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -507.343062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.343062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.343062 (E_RNA)
where:
Base-Base interactions energy: -189.927
where: short stacking energy: -156.898
Base-Backbone interact. energy: -1.986
local terms energy: -315.430548
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -119.709
flat angles C4'-P-C4' energy: -74.012
flat angles P-C4'-P energy: -49.776
tors. eta vs tors. theta energy: 25.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1642.411681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.411681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.411681 (E_RNA)
where:
Base-Base interactions energy: -996.213
where: short stacking energy: -538.728
Base-Backbone interact. energy: -3.526
local terms energy: -642.672235
where:
bonds (distance) C4'-P energy: -141.864
bonds (distance) P-C4' energy: -135.533
flat angles C4'-P-C4' energy: -140.913
flat angles P-C4'-P energy: -93.616
tors. eta vs tors. theta energy: -130.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1638.926816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.926816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.926816 (E_RNA)
where:
Base-Base interactions energy: -1052.229
where: short stacking energy: -528.430
Base-Backbone interact. energy: -1.649
local terms energy: -585.048353
where:
bonds (distance) C4'-P energy: -131.744
bonds (distance) P-C4' energy: -130.372
flat angles C4'-P-C4' energy: -120.811
flat angles P-C4'-P energy: -76.625
tors. eta vs tors. theta energy: -125.497
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: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1454.571004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.571004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.571004 (E_RNA)
where:
Base-Base interactions energy: -858.951
where: short stacking energy: -492.659
Base-Backbone interact. energy: -1.259
local terms energy: -594.361117
where:
bonds (distance) C4'-P energy: -122.268
bonds (distance) P-C4' energy: -133.041
flat angles C4'-P-C4' energy: -141.466
flat angles P-C4'-P energy: -69.455
tors. eta vs tors. theta energy: -128.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1597.226420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.226420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.226420 (E_RNA)
where:
Base-Base interactions energy: -1033.052
where: short stacking energy: -524.525
Base-Backbone interact. energy: -1.105
local terms energy: -563.069589
where:
bonds (distance) C4'-P energy: -110.944
bonds (distance) P-C4' energy: -117.223
flat angles C4'-P-C4' energy: -121.456
flat angles P-C4'-P energy: -80.079
tors. eta vs tors. theta energy: -133.368
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: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1257.740464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.740464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.740464 (E_RNA)
where:
Base-Base interactions energy: -752.635
where: short stacking energy: -393.347
Base-Backbone interact. energy: -1.071
local terms energy: -504.033962
where:
bonds (distance) C4'-P energy: -117.028
bonds (distance) P-C4' energy: -120.359
flat angles C4'-P-C4' energy: -105.537
flat angles P-C4'-P energy: -82.507
tors. eta vs tors. theta energy: -78.602
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: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1020.172121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.172121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.172121 (E_RNA)
where:
Base-Base interactions energy: -515.088
where: short stacking energy: -311.734
Base-Backbone interact. energy: -0.961
local terms energy: -504.123208
where:
bonds (distance) C4'-P energy: -137.577
bonds (distance) P-C4' energy: -110.553
flat angles C4'-P-C4' energy: -130.230
flat angles P-C4'-P energy: -76.821
tors. eta vs tors. theta energy: -48.942
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -895.153665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.153665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.153665 (E_RNA)
where:
Base-Base interactions energy: -450.405
where: short stacking energy: -241.122
Base-Backbone interact. energy: -2.564
local terms energy: -442.184684
where:
bonds (distance) C4'-P energy: -130.473
bonds (distance) P-C4' energy: -125.325
flat angles C4'-P-C4' energy: -95.551
flat angles P-C4'-P energy: -67.173
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -775.299203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.299203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.299203 (E_RNA)
where:
Base-Base interactions energy: -382.881
where: short stacking energy: -229.360
Base-Backbone interact. energy: 0.900
local terms energy: -393.318648
where:
bonds (distance) C4'-P energy: -121.844
bonds (distance) P-C4' energy: -118.049
flat angles C4'-P-C4' energy: -84.183
flat angles P-C4'-P energy: -64.704
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -638.576398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.576398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.576398 (E_RNA)
where:
Base-Base interactions energy: -288.814
where: short stacking energy: -194.864
Base-Backbone interact. energy: -1.139
local terms energy: -348.622907
where:
bonds (distance) C4'-P energy: -83.873
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -108.773
flat angles P-C4'-P energy: -70.070
tors. eta vs tors. theta energy: 19.936
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: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -571.851981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.851981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.851981 (E_RNA)
where:
Base-Base interactions energy: -236.092
where: short stacking energy: -172.579
Base-Backbone interact. energy: -2.890
local terms energy: -332.869556
where:
bonds (distance) C4'-P energy: -95.245
bonds (distance) P-C4' energy: -105.399
flat angles C4'-P-C4' energy: -81.040
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: 21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1756.460670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.460670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.460670 (E_RNA)
where:
Base-Base interactions energy: -1109.384
where: short stacking energy: -534.144
Base-Backbone interact. energy: 0.771
local terms energy: -647.847452
where:
bonds (distance) C4'-P energy: -140.679
bonds (distance) P-C4' energy: -135.771
flat angles C4'-P-C4' energy: -146.750
flat angles P-C4'-P energy: -80.740
tors. eta vs tors. theta energy: -143.908
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1590.545721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.545721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.545721 (E_RNA)
where:
Base-Base interactions energy: -973.034
where: short stacking energy: -497.191
Base-Backbone interact. energy: -4.770
local terms energy: -612.741993
where:
bonds (distance) C4'-P energy: -126.857
bonds (distance) P-C4' energy: -142.013
flat angles C4'-P-C4' energy: -130.892
flat angles P-C4'-P energy: -84.697
tors. eta vs tors. theta energy: -128.283
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: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1674.604919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.604919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.604919 (E_RNA)
where:
Base-Base interactions energy: -1074.531
where: short stacking energy: -524.586
Base-Backbone interact. energy: -5.162
local terms energy: -594.912332
where:
bonds (distance) C4'-P energy: -118.691
bonds (distance) P-C4' energy: -137.927
flat angles C4'-P-C4' energy: -124.643
flat angles P-C4'-P energy: -76.906
tors. eta vs tors. theta energy: -136.746
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1362.426665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.426665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.426665 (E_RNA)
where:
Base-Base interactions energy: -779.302
where: short stacking energy: -449.514
Base-Backbone interact. energy: -0.929
local terms energy: -582.195464
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -126.036
flat angles C4'-P-C4' energy: -133.848
flat angles P-C4'-P energy: -77.854
tors. eta vs tors. theta energy: -106.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1231.205876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.205876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.205876 (E_RNA)
where:
Base-Base interactions energy: -721.887
where: short stacking energy: -336.593
Base-Backbone interact. energy: -2.946
local terms energy: -506.372653
where:
bonds (distance) C4'-P energy: -123.698
bonds (distance) P-C4' energy: -120.768
flat angles C4'-P-C4' energy: -103.664
flat angles P-C4'-P energy: -95.007
tors. eta vs tors. theta energy: -63.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1006.542618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.542618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.542618 (E_RNA)
where:
Base-Base interactions energy: -524.616
where: short stacking energy: -305.194
Base-Backbone interact. energy: -3.309
local terms energy: -478.617531
where:
bonds (distance) C4'-P energy: -108.849
bonds (distance) P-C4' energy: -127.206
flat angles C4'-P-C4' energy: -113.331
flat angles P-C4'-P energy: -83.781
tors. eta vs tors. theta energy: -45.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -886.232491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.232491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.232491 (E_RNA)
where:
Base-Base interactions energy: -470.340
where: short stacking energy: -282.281
Base-Backbone interact. energy: -1.594
local terms energy: -414.298994
where:
bonds (distance) C4'-P energy: -108.515
bonds (distance) P-C4' energy: -107.340
flat angles C4'-P-C4' energy: -111.863
flat angles P-C4'-P energy: -70.896
tors. eta vs tors. theta energy: -15.686
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -893.385533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.385533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.385533 (E_RNA)
where:
Base-Base interactions energy: -466.472
where: short stacking energy: -251.653
Base-Backbone interact. energy: -3.916
local terms energy: -422.997783
where:
bonds (distance) C4'-P energy: -110.549
bonds (distance) P-C4' energy: -120.027
flat angles C4'-P-C4' energy: -109.722
flat angles P-C4'-P energy: -65.901
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -589.456108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.456108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.456108 (E_RNA)
where:
Base-Base interactions energy: -243.583
where: short stacking energy: -172.840
Base-Backbone interact. energy: -1.733
local terms energy: -344.140436
where:
bonds (distance) C4'-P energy: -121.125
bonds (distance) P-C4' energy: -118.185
flat angles C4'-P-C4' energy: -82.425
flat angles P-C4'-P energy: -55.812
tors. eta vs tors. theta energy: 33.407
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -486.172549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.172549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.172549 (E_RNA)
where:
Base-Base interactions energy: -181.151
where: short stacking energy: -143.586
Base-Backbone interact. energy: 4.515
local terms energy: -309.536363
where:
bonds (distance) C4'-P energy: -88.317
bonds (distance) P-C4' energy: -113.840
flat angles C4'-P-C4' energy: -77.391
flat angles P-C4'-P energy: -56.487
tors. eta vs tors. theta energy: 26.498
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: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1800.368580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.368580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.368580 (E_RNA)
where:
Base-Base interactions energy: -1161.721
where: short stacking energy: -568.325
Base-Backbone interact. energy: -1.638
local terms energy: -637.008675
where:
bonds (distance) C4'-P energy: -132.618
bonds (distance) P-C4' energy: -120.097
flat angles C4'-P-C4' energy: -137.282
flat angles P-C4'-P energy: -100.156
tors. eta vs tors. theta energy: -146.855
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: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1754.545367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.545367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.545367 (E_RNA)
where:
Base-Base interactions energy: -1120.462
where: short stacking energy: -560.541
Base-Backbone interact. energy: -4.887
local terms energy: -629.196158
where:
bonds (distance) C4'-P energy: -124.329
bonds (distance) P-C4' energy: -131.124
flat angles C4'-P-C4' energy: -132.434
flat angles P-C4'-P energy: -97.629
tors. eta vs tors. theta energy: -143.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1556.972354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.972354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.972354 (E_RNA)
where:
Base-Base interactions energy: -941.059
where: short stacking energy: -478.440
Base-Backbone interact. energy: 1.973
local terms energy: -617.886843
where:
bonds (distance) C4'-P energy: -123.458
bonds (distance) P-C4' energy: -139.882
flat angles C4'-P-C4' energy: -140.477
flat angles P-C4'-P energy: -96.087
tors. eta vs tors. theta energy: -117.983
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1291.805292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.805292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.805292 (E_RNA)
where:
Base-Base interactions energy: -756.618
where: short stacking energy: -457.754
Base-Backbone interact. energy: -1.236
local terms energy: -533.951306
where:
bonds (distance) C4'-P energy: -119.852
bonds (distance) P-C4' energy: -116.919
flat angles C4'-P-C4' energy: -120.938
flat angles P-C4'-P energy: -77.790
tors. eta vs tors. theta energy: -98.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1233.552741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.552741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.552741 (E_RNA)
where:
Base-Base interactions energy: -728.931
where: short stacking energy: -400.612
Base-Backbone interact. energy: -1.323
local terms energy: -503.299100
where:
bonds (distance) C4'-P energy: -116.150
bonds (distance) P-C4' energy: -125.689
flat angles C4'-P-C4' energy: -106.220
flat angles P-C4'-P energy: -62.066
tors. eta vs tors. theta energy: -93.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -999.516190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.516190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.516190 (E_RNA)
where:
Base-Base interactions energy: -535.239
where: short stacking energy: -303.736
Base-Backbone interact. energy: -2.344
local terms energy: -461.932539
where:
bonds (distance) C4'-P energy: -116.825
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -110.854
flat angles P-C4'-P energy: -68.760
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -896.011728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.011728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.011728 (E_RNA)
where:
Base-Base interactions energy: -453.674
where: short stacking energy: -257.862
Base-Backbone interact. energy: -2.752
local terms energy: -439.585979
where:
bonds (distance) C4'-P energy: -108.486
bonds (distance) P-C4' energy: -117.721
flat angles C4'-P-C4' energy: -112.494
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -23.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -856.193030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.193030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.193030 (E_RNA)
where:
Base-Base interactions energy: -447.910
where: short stacking energy: -211.527
Base-Backbone interact. energy: -3.404
local terms energy: -404.878611
where:
bonds (distance) C4'-P energy: -109.726
bonds (distance) P-C4' energy: -106.256
flat angles C4'-P-C4' energy: -108.846
flat angles P-C4'-P energy: -70.684
tors. eta vs tors. theta energy: -9.367
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: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -675.491287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.491287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.491287 (E_RNA)
where:
Base-Base interactions energy: -333.842
where: short stacking energy: -195.339
Base-Backbone interact. energy: 1.171
local terms energy: -342.820997
where:
bonds (distance) C4'-P energy: -88.517
bonds (distance) P-C4' energy: -120.116
flat angles C4'-P-C4' energy: -94.428
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: 3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -536.620038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.620038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.620038 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -132.489
Base-Backbone interact. energy: -2.391
local terms energy: -334.226590
where:
bonds (distance) C4'-P energy: -91.168
bonds (distance) P-C4' energy: -113.529
flat angles C4'-P-C4' energy: -84.009
flat angles P-C4'-P energy: -74.678
tors. eta vs tors. theta energy: 29.157
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: 20
Temperature: 0.900000
Total energy: -1884.499047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.499047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.499047 (E_RNA)
where:
Base-Base interactions energy: -1232.666
where: short stacking energy: -574.398
Base-Backbone interact. energy: -2.903
local terms energy: -648.930282
where:
bonds (distance) C4'-P energy: -132.717
bonds (distance) P-C4' energy: -129.408
flat angles C4'-P-C4' energy: -157.777
flat angles P-C4'-P energy: -79.401
tors. eta vs tors. theta energy: -149.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1741.474897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.474897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.474897 (E_RNA)
where:
Base-Base interactions energy: -1128.073
where: short stacking energy: -523.927
Base-Backbone interact. energy: 0.636
local terms energy: -614.037951
where:
bonds (distance) C4'-P energy: -125.404
bonds (distance) P-C4' energy: -132.465
flat angles C4'-P-C4' energy: -139.517
flat angles P-C4'-P energy: -96.561
tors. eta vs tors. theta energy: -120.091
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: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1486.004899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.004899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.004899 (E_RNA)
where:
Base-Base interactions energy: -939.776
where: short stacking energy: -445.869
Base-Backbone interact. energy: 0.524
local terms energy: -546.752633
where:
bonds (distance) C4'-P energy: -113.116
bonds (distance) P-C4' energy: -127.147
flat angles C4'-P-C4' energy: -128.862
flat angles P-C4'-P energy: -69.645
tors. eta vs tors. theta energy: -107.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1261.950562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.950562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.950562 (E_RNA)
where:
Base-Base interactions energy: -706.298
where: short stacking energy: -411.633
Base-Backbone interact. energy: -1.576
local terms energy: -554.076894
where:
bonds (distance) C4'-P energy: -134.890
bonds (distance) P-C4' energy: -135.040
flat angles C4'-P-C4' energy: -115.422
flat angles P-C4'-P energy: -83.450
tors. eta vs tors. theta energy: -85.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1261.194327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.194327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.194327 (E_RNA)
where:
Base-Base interactions energy: -729.489
where: short stacking energy: -403.095
Base-Backbone interact. energy: 0.947
local terms energy: -532.651978
where:
bonds (distance) C4'-P energy: -129.487
bonds (distance) P-C4' energy: -125.475
flat angles C4'-P-C4' energy: -115.013
flat angles P-C4'-P energy: -83.954
tors. eta vs tors. theta energy: -78.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1049.340216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.340216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.340216 (E_RNA)
where:
Base-Base interactions energy: -564.288
where: short stacking energy: -323.516
Base-Backbone interact. energy: -0.223
local terms energy: -484.829449
where:
bonds (distance) C4'-P energy: -95.337
bonds (distance) P-C4' energy: -117.192
flat angles C4'-P-C4' energy: -129.891
flat angles P-C4'-P energy: -75.764
tors. eta vs tors. theta energy: -66.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -981.773764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.773764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.773764 (E_RNA)
where:
Base-Base interactions energy: -584.823
where: short stacking energy: -279.272
Base-Backbone interact. energy: 0.273
local terms energy: -397.224135
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -120.248
flat angles C4'-P-C4' energy: -93.466
flat angles P-C4'-P energy: -40.369
tors. eta vs tors. theta energy: -42.006
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: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -784.675600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.675600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.675600 (E_RNA)
where:
Base-Base interactions energy: -368.193
where: short stacking energy: -212.103
Base-Backbone interact. energy: -0.933
local terms energy: -415.549072
where:
bonds (distance) C4'-P energy: -112.860
bonds (distance) P-C4' energy: -123.440
flat angles C4'-P-C4' energy: -99.202
flat angles P-C4'-P energy: -68.648
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -604.867873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.867873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.867873 (E_RNA)
where:
Base-Base interactions energy: -263.813
where: short stacking energy: -162.763
Base-Backbone interact. energy: -1.840
local terms energy: -339.214377
where:
bonds (distance) C4'-P energy: -98.358
bonds (distance) P-C4' energy: -129.621
flat angles C4'-P-C4' energy: -89.563
flat angles P-C4'-P energy: -60.149
tors. eta vs tors. theta energy: 38.477
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -591.415182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.415182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.415182 (E_RNA)
where:
Base-Base interactions energy: -230.143
where: short stacking energy: -173.265
Base-Backbone interact. energy: 0.939
local terms energy: -362.210688
where:
bonds (distance) C4'-P energy: -113.773
bonds (distance) P-C4' energy: -105.384
flat angles C4'-P-C4' energy: -90.639
flat angles P-C4'-P energy: -62.336
tors. eta vs tors. theta energy: 9.922
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: 21
Temperature: 0.900000
Total energy: -1881.616474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.616474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.616474 (E_RNA)
where:
Base-Base interactions energy: -1244.171
where: short stacking energy: -591.557
Base-Backbone interact. energy: -0.676
local terms energy: -636.770303
where:
bonds (distance) C4'-P energy: -136.536
bonds (distance) P-C4' energy: -123.181
flat angles C4'-P-C4' energy: -151.112
flat angles P-C4'-P energy: -86.420
tors. eta vs tors. theta energy: -139.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1736.085485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.085485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.085485 (E_RNA)
where:
Base-Base interactions energy: -1108.089
where: short stacking energy: -559.144
Base-Backbone interact. energy: -1.770
local terms energy: -626.225865
where:
bonds (distance) C4'-P energy: -131.606
bonds (distance) P-C4' energy: -119.216
flat angles C4'-P-C4' energy: -138.669
flat angles P-C4'-P energy: -101.653
tors. eta vs tors. theta energy: -135.082
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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1525.854365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.854365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.854365 (E_RNA)
where:
Base-Base interactions energy: -944.102
where: short stacking energy: -463.257
Base-Backbone interact. energy: -2.942
local terms energy: -578.809926
where:
bonds (distance) C4'-P energy: -130.823
bonds (distance) P-C4' energy: -116.025
flat angles C4'-P-C4' energy: -141.942
flat angles P-C4'-P energy: -82.590
tors. eta vs tors. theta energy: -107.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1346.680763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.680763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.680763 (E_RNA)
where:
Base-Base interactions energy: -822.293
where: short stacking energy: -419.878
Base-Backbone interact. energy: 3.452
local terms energy: -527.839903
where:
bonds (distance) C4'-P energy: -127.027
bonds (distance) P-C4' energy: -131.977
flat angles C4'-P-C4' energy: -127.277
flat angles P-C4'-P energy: -63.253
tors. eta vs tors. theta energy: -78.307
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: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1177.718831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.718831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.718831 (E_RNA)
where:
Base-Base interactions energy: -664.314
where: short stacking energy: -368.535
Base-Backbone interact. energy: -2.133
local terms energy: -511.272215
where:
bonds (distance) C4'-P energy: -122.162
bonds (distance) P-C4' energy: -127.423
flat angles C4'-P-C4' energy: -121.216
flat angles P-C4'-P energy: -70.182
tors. eta vs tors. theta energy: -70.289
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: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1032.731897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.731897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.731897 (E_RNA)
where:
Base-Base interactions energy: -587.908
where: short stacking energy: -327.565
Base-Backbone interact. energy: 2.189
local terms energy: -447.012438
where:
bonds (distance) C4'-P energy: -100.996
bonds (distance) P-C4' energy: -133.645
flat angles C4'-P-C4' energy: -107.817
flat angles P-C4'-P energy: -61.189
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -960.213432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.213432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.213432 (E_RNA)
where:
Base-Base interactions energy: -535.302
where: short stacking energy: -275.325
Base-Backbone interact. energy: -1.351
local terms energy: -423.560505
where:
bonds (distance) C4'-P energy: -108.976
bonds (distance) P-C4' energy: -116.721
flat angles C4'-P-C4' energy: -117.754
flat angles P-C4'-P energy: -52.285
tors. eta vs tors. theta energy: -27.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -763.821108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.821108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.821108 (E_RNA)
where:
Base-Base interactions energy: -352.747
where: short stacking energy: -219.191
Base-Backbone interact. energy: -1.481
local terms energy: -409.593055
where:
bonds (distance) C4'-P energy: -109.737
bonds (distance) P-C4' energy: -125.131
flat angles C4'-P-C4' energy: -107.352
flat angles P-C4'-P energy: -57.364
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -660.916588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.916588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.916588 (E_RNA)
where:
Base-Base interactions energy: -298.157
where: short stacking energy: -189.096
Base-Backbone interact. energy: 5.528
local terms energy: -368.287705
where:
bonds (distance) C4'-P energy: -108.651
bonds (distance) P-C4' energy: -111.260
flat angles C4'-P-C4' energy: -95.622
flat angles P-C4'-P energy: -56.503
tors. eta vs tors. theta energy: 3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -512.257586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.257586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.257586 (E_RNA)
where:
Base-Base interactions energy: -204.868
where: short stacking energy: -156.025
Base-Backbone interact. energy: -2.155
local terms energy: -305.234529
where:
bonds (distance) C4'-P energy: -91.640
bonds (distance) P-C4' energy: -97.073
flat angles C4'-P-C4' energy: -90.393
flat angles P-C4'-P energy: -48.702
tors. eta vs tors. theta energy: 22.574
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: 22
Temperature: 0.900000
Total energy: -1908.887538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.887538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.887538 (E_RNA)
where:
Base-Base interactions energy: -1261.045
where: short stacking energy: -594.122
Base-Backbone interact. energy: -2.333
local terms energy: -645.509757
where:
bonds (distance) C4'-P energy: -134.292
bonds (distance) P-C4' energy: -125.068
flat angles C4'-P-C4' energy: -148.940
flat angles P-C4'-P energy: -85.816
tors. eta vs tors. theta energy: -151.394
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1741.588032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.588032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.588032 (E_RNA)
where:
Base-Base interactions energy: -1114.887
where: short stacking energy: -558.753
Base-Backbone interact. energy: -2.589
local terms energy: -624.111488
where:
bonds (distance) C4'-P energy: -121.398
bonds (distance) P-C4' energy: -124.776
flat angles C4'-P-C4' energy: -151.162
flat angles P-C4'-P energy: -76.756
tors. eta vs tors. theta energy: -150.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1522.899312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.899312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.899312 (E_RNA)
where:
Base-Base interactions energy: -943.922
where: short stacking energy: -475.412
Base-Backbone interact. energy: 0.460
local terms energy: -579.437439
where:
bonds (distance) C4'-P energy: -133.753
bonds (distance) P-C4' energy: -126.828
flat angles C4'-P-C4' energy: -126.172
flat angles P-C4'-P energy: -81.369
tors. eta vs tors. theta energy: -111.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1363.108888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.108888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.108888 (E_RNA)
where:
Base-Base interactions energy: -826.797
where: short stacking energy: -423.941
Base-Backbone interact. energy: 1.905
local terms energy: -538.215930
where:
bonds (distance) C4'-P energy: -111.519
bonds (distance) P-C4' energy: -124.694
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -94.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1144.717406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.717406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.717406 (E_RNA)
where:
Base-Base interactions energy: -657.414
where: short stacking energy: -402.614
Base-Backbone interact. energy: 1.069
local terms energy: -488.372438
where:
bonds (distance) C4'-P energy: -118.913
bonds (distance) P-C4' energy: -109.164
flat angles C4'-P-C4' energy: -115.180
flat angles P-C4'-P energy: -74.470
tors. eta vs tors. theta energy: -70.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1024.777947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.777947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.777947 (E_RNA)
where:
Base-Base interactions energy: -540.070
where: short stacking energy: -323.332
Base-Backbone interact. energy: -0.908
local terms energy: -483.800447
where:
bonds (distance) C4'-P energy: -116.764
bonds (distance) P-C4' energy: -105.424
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -95.768
tors. eta vs tors. theta energy: -45.908
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -998.976784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.976784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.976784 (E_RNA)
where:
Base-Base interactions energy: -533.047
where: short stacking energy: -278.504
Base-Backbone interact. energy: -1.171
local terms energy: -464.758503
where:
bonds (distance) C4'-P energy: -119.372
bonds (distance) P-C4' energy: -126.883
flat angles C4'-P-C4' energy: -110.568
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -36.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -758.586921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.586921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.586921 (E_RNA)
where:
Base-Base interactions energy: -365.634
where: short stacking energy: -238.684
Base-Backbone interact. energy: 1.762
local terms energy: -394.715043
where:
bonds (distance) C4'-P energy: -110.022
bonds (distance) P-C4' energy: -115.612
flat angles C4'-P-C4' energy: -104.609
flat angles P-C4'-P energy: -62.463
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -658.281065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.281065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.281065 (E_RNA)
where:
Base-Base interactions energy: -309.437
where: short stacking energy: -206.531
Base-Backbone interact. energy: 1.368
local terms energy: -350.212475
where:
bonds (distance) C4'-P energy: -99.844
bonds (distance) P-C4' energy: -100.360
flat angles C4'-P-C4' energy: -101.722
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -0.360
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: 22
Temperature: 1.350000
Total energy: -527.342864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.342864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.342864 (E_RNA)
where:
Base-Base interactions energy: -181.552
where: short stacking energy: -121.751
Base-Backbone interact. energy: -0.344
local terms energy: -345.446818
where:
bonds (distance) C4'-P energy: -103.677
bonds (distance) P-C4' energy: -112.899
flat angles C4'-P-C4' energy: -87.596
flat angles P-C4'-P energy: -55.140
tors. eta vs tors. theta energy: 13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1897.523891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.523891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.523891 (E_RNA)
where:
Base-Base interactions energy: -1241.754
where: short stacking energy: -589.917
Base-Backbone interact. energy: -3.433
local terms energy: -652.336873
where:
bonds (distance) C4'-P energy: -140.748
bonds (distance) P-C4' energy: -128.981
flat angles C4'-P-C4' energy: -142.721
flat angles P-C4'-P energy: -84.601
tors. eta vs tors. theta energy: -155.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1780.710542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.710542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.710542 (E_RNA)
where:
Base-Base interactions energy: -1142.988
where: short stacking energy: -575.570
Base-Backbone interact. energy: 0.668
local terms energy: -638.391277
where:
bonds (distance) C4'-P energy: -130.021
bonds (distance) P-C4' energy: -136.583
flat angles C4'-P-C4' energy: -140.219
flat angles P-C4'-P energy: -85.060
tors. eta vs tors. theta energy: -146.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1528.242164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.242164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.242164 (E_RNA)
where:
Base-Base interactions energy: -947.146
where: short stacking energy: -472.326
Base-Backbone interact. energy: 3.146
local terms energy: -584.242644
where:
bonds (distance) C4'-P energy: -132.001
bonds (distance) P-C4' energy: -121.213
flat angles C4'-P-C4' energy: -133.388
flat angles P-C4'-P energy: -89.554
tors. eta vs tors. theta energy: -108.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1355.135182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.135182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.135182 (E_RNA)
where:
Base-Base interactions energy: -812.606
where: short stacking energy: -443.939
Base-Backbone interact. energy: -1.594
local terms energy: -540.934932
where:
bonds (distance) C4'-P energy: -116.231
bonds (distance) P-C4' energy: -130.861
flat angles C4'-P-C4' energy: -112.696
flat angles P-C4'-P energy: -87.549
tors. eta vs tors. theta energy: -93.598
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: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1212.738648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.738648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.738648 (E_RNA)
where:
Base-Base interactions energy: -690.644
where: short stacking energy: -383.080
Base-Backbone interact. energy: -1.634
local terms energy: -520.461477
where:
bonds (distance) C4'-P energy: -103.646
bonds (distance) P-C4' energy: -136.945
flat angles C4'-P-C4' energy: -131.095
flat angles P-C4'-P energy: -77.600
tors. eta vs tors. theta energy: -71.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1028.224332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.224332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.224332 (E_RNA)
where:
Base-Base interactions energy: -552.626
where: short stacking energy: -340.281
Base-Backbone interact. energy: 4.421
local terms energy: -480.019158
where:
bonds (distance) C4'-P energy: -126.057
bonds (distance) P-C4' energy: -126.534
flat angles C4'-P-C4' energy: -104.154
flat angles P-C4'-P energy: -52.533
tors. eta vs tors. theta energy: -70.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1092.690595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.690595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.690595 (E_RNA)
where:
Base-Base interactions energy: -671.183
where: short stacking energy: -329.972
Base-Backbone interact. energy: 2.073
local terms energy: -423.581278
where:
bonds (distance) C4'-P energy: -109.533
bonds (distance) P-C4' energy: -110.445
flat angles C4'-P-C4' energy: -107.409
flat angles P-C4'-P energy: -56.403
tors. eta vs tors. theta energy: -39.791
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: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -735.745139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.745139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.745139 (E_RNA)
where:
Base-Base interactions energy: -360.660
where: short stacking energy: -231.632
Base-Backbone interact. energy: -2.757
local terms energy: -372.328279
where:
bonds (distance) C4'-P energy: -89.547
bonds (distance) P-C4' energy: -126.311
flat angles C4'-P-C4' energy: -96.493
flat angles P-C4'-P energy: -55.037
tors. eta vs tors. theta energy: -4.940
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: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -725.127065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.127065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.127065 (E_RNA)
where:
Base-Base interactions energy: -372.348
where: short stacking energy: -214.405
Base-Backbone interact. energy: 3.110
local terms energy: -355.888872
where:
bonds (distance) C4'-P energy: -106.310
bonds (distance) P-C4' energy: -103.997
flat angles C4'-P-C4' energy: -95.799
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -601.427498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.427498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.427498 (E_RNA)
where:
Base-Base interactions energy: -282.573
where: short stacking energy: -184.404
Base-Backbone interact. energy: 8.673
local terms energy: -327.528148
where:
bonds (distance) C4'-P energy: -101.233
bonds (distance) P-C4' energy: -99.713
flat angles C4'-P-C4' energy: -93.150
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: 8.819
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: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1918.354887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.354887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.354887 (E_RNA)
where:
Base-Base interactions energy: -1269.898
where: short stacking energy: -570.338
Base-Backbone interact. energy: 5.310
local terms energy: -653.767289
where:
bonds (distance) C4'-P energy: -122.416
bonds (distance) P-C4' energy: -133.510
flat angles C4'-P-C4' energy: -149.986
flat angles P-C4'-P energy: -100.063
tors. eta vs tors. theta energy: -147.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1814.786763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.786763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.786763 (E_RNA)
where:
Base-Base interactions energy: -1185.986
where: short stacking energy: -577.392
Base-Backbone interact. energy: -3.449
local terms energy: -625.351874
where:
bonds (distance) C4'-P energy: -131.096
bonds (distance) P-C4' energy: -132.877
flat angles C4'-P-C4' energy: -145.515
flat angles P-C4'-P energy: -77.766
tors. eta vs tors. theta energy: -138.098
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: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1581.291098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.291098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.291098 (E_RNA)
where:
Base-Base interactions energy: -1007.336
where: short stacking energy: -501.118
Base-Backbone interact. energy: 4.028
local terms energy: -577.982846
where:
bonds (distance) C4'-P energy: -121.301
bonds (distance) P-C4' energy: -122.161
flat angles C4'-P-C4' energy: -132.018
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -116.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1437.782172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.782172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.782172 (E_RNA)
where:
Base-Base interactions energy: -877.498
where: short stacking energy: -433.937
Base-Backbone interact. energy: -2.396
local terms energy: -557.888801
where:
bonds (distance) C4'-P energy: -136.102
bonds (distance) P-C4' energy: -116.495
flat angles C4'-P-C4' energy: -131.611
flat angles P-C4'-P energy: -77.221
tors. eta vs tors. theta energy: -96.460
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: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1219.026570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.026570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.026570 (E_RNA)
where:
Base-Base interactions energy: -705.059
where: short stacking energy: -393.295
Base-Backbone interact. energy: -3.222
local terms energy: -510.745528
where:
bonds (distance) C4'-P energy: -116.325
bonds (distance) P-C4' energy: -130.534
flat angles C4'-P-C4' energy: -117.935
flat angles P-C4'-P energy: -70.468
tors. eta vs tors. theta energy: -75.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1006.111002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.111002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.111002 (E_RNA)
where:
Base-Base interactions energy: -543.117
where: short stacking energy: -325.185
Base-Backbone interact. energy: 1.645
local terms energy: -464.639118
where:
bonds (distance) C4'-P energy: -109.693
bonds (distance) P-C4' energy: -130.085
flat angles C4'-P-C4' energy: -109.605
flat angles P-C4'-P energy: -67.134
tors. eta vs tors. theta energy: -48.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1126.462279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.462279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.462279 (E_RNA)
where:
Base-Base interactions energy: -691.615
where: short stacking energy: -296.670
Base-Backbone interact. energy: 0.349
local terms energy: -435.196080
where:
bonds (distance) C4'-P energy: -104.323
bonds (distance) P-C4' energy: -118.615
flat angles C4'-P-C4' energy: -109.642
flat angles P-C4'-P energy: -64.281
tors. eta vs tors. theta energy: -38.335
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: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -889.455680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.455680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.455680 (E_RNA)
where:
Base-Base interactions energy: -505.640
where: short stacking energy: -259.989
Base-Backbone interact. energy: 1.954
local terms energy: -385.769563
where:
bonds (distance) C4'-P energy: -103.145
bonds (distance) P-C4' energy: -122.067
flat angles C4'-P-C4' energy: -94.164
flat angles P-C4'-P energy: -52.317
tors. eta vs tors. theta energy: -14.076
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -703.935833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.935833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.935833 (E_RNA)
where:
Base-Base interactions energy: -314.733
where: short stacking energy: -195.783
Base-Backbone interact. energy: 0.842
local terms energy: -390.045169
where:
bonds (distance) C4'-P energy: -100.746
bonds (distance) P-C4' energy: -124.296
flat angles C4'-P-C4' energy: -100.772
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -634.328891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.328891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.328891 (E_RNA)
where:
Base-Base interactions energy: -303.928
where: short stacking energy: -195.606
Base-Backbone interact. energy: 0.674
local terms energy: -331.074798
where:
bonds (distance) C4'-P energy: -109.561
bonds (distance) P-C4' energy: -119.108
flat angles C4'-P-C4' energy: -82.872
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: 12.945
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: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1924.440970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.440970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.440970 (E_RNA)
where:
Base-Base interactions energy: -1245.792
where: short stacking energy: -574.635
Base-Backbone interact. energy: -2.942
local terms energy: -675.707548
where:
bonds (distance) C4'-P energy: -131.098
bonds (distance) P-C4' energy: -142.734
flat angles C4'-P-C4' energy: -147.398
flat angles P-C4'-P energy: -88.378
tors. eta vs tors. theta energy: -166.099
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1890.637692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.637692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.637692 (E_RNA)
where:
Base-Base interactions energy: -1241.598
where: short stacking energy: -598.098
Base-Backbone interact. energy: -3.202
local terms energy: -645.837923
where:
bonds (distance) C4'-P energy: -120.664
bonds (distance) P-C4' energy: -126.127
flat angles C4'-P-C4' energy: -138.958
flat angles P-C4'-P energy: -100.276
tors. eta vs tors. theta energy: -159.813
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: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1679.639521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.639521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.639521 (E_RNA)
where:
Base-Base interactions energy: -1091.705
where: short stacking energy: -500.194
Base-Backbone interact. energy: -1.314
local terms energy: -586.620850
where:
bonds (distance) C4'-P energy: -121.494
bonds (distance) P-C4' energy: -125.457
flat angles C4'-P-C4' energy: -135.468
flat angles P-C4'-P energy: -94.107
tors. eta vs tors. theta energy: -110.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1474.978783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.978783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.978783 (E_RNA)
where:
Base-Base interactions energy: -895.235
where: short stacking energy: -448.266
Base-Backbone interact. energy: -2.057
local terms energy: -577.686752
where:
bonds (distance) C4'-P energy: -113.040
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -137.957
flat angles P-C4'-P energy: -92.428
tors. eta vs tors. theta energy: -106.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1237.920023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.920023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.920023 (E_RNA)
where:
Base-Base interactions energy: -723.091
where: short stacking energy: -398.137
Base-Backbone interact. energy: -2.590
local terms energy: -512.239459
where:
bonds (distance) C4'-P energy: -119.716
bonds (distance) P-C4' energy: -124.130
flat angles C4'-P-C4' energy: -127.365
flat angles P-C4'-P energy: -70.697
tors. eta vs tors. theta energy: -70.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1263.105736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.105736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.105736 (E_RNA)
where:
Base-Base interactions energy: -777.063
where: short stacking energy: -354.812
Base-Backbone interact. energy: 3.108
local terms energy: -489.150437
where:
bonds (distance) C4'-P energy: -106.953
bonds (distance) P-C4' energy: -128.023
flat angles C4'-P-C4' energy: -121.082
flat angles P-C4'-P energy: -68.124
tors. eta vs tors. theta energy: -64.969
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: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -978.897584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.897584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.897584 (E_RNA)
where:
Base-Base interactions energy: -526.746
where: short stacking energy: -298.999
Base-Backbone interact. energy: 2.042
local terms energy: -454.193564
where:
bonds (distance) C4'-P energy: -106.756
bonds (distance) P-C4' energy: -126.621
flat angles C4'-P-C4' energy: -108.198
flat angles P-C4'-P energy: -70.244
tors. eta vs tors. theta energy: -42.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -851.082381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.082381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.082381 (E_RNA)
where:
Base-Base interactions energy: -442.657
where: short stacking energy: -219.926
Base-Backbone interact. energy: -1.599
local terms energy: -406.826271
where:
bonds (distance) C4'-P energy: -107.742
bonds (distance) P-C4' energy: -120.240
flat angles C4'-P-C4' energy: -97.250
flat angles P-C4'-P energy: -83.931
tors. eta vs tors. theta energy: 2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -749.679678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.679678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.679678 (E_RNA)
where:
Base-Base interactions energy: -364.174
where: short stacking energy: -231.967
Base-Backbone interact. energy: 0.710
local terms energy: -386.216247
where:
bonds (distance) C4'-P energy: -99.530
bonds (distance) P-C4' energy: -126.619
flat angles C4'-P-C4' energy: -80.128
flat angles P-C4'-P energy: -58.078
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -611.061151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.061151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.061151 (E_RNA)
where:
Base-Base interactions energy: -225.656
where: short stacking energy: -125.893
Base-Backbone interact. energy: -0.200
local terms energy: -385.205196
where:
bonds (distance) C4'-P energy: -86.741
bonds (distance) P-C4' energy: -128.109
flat angles C4'-P-C4' energy: -115.811
flat angles P-C4'-P energy: -58.337
tors. eta vs tors. theta energy: 3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1934.228846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.228846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.228846 (E_RNA)
where:
Base-Base interactions energy: -1309.917
where: short stacking energy: -565.505
Base-Backbone interact. energy: -2.648
local terms energy: -621.664511
where:
bonds (distance) C4'-P energy: -118.811
bonds (distance) P-C4' energy: -142.764
flat angles C4'-P-C4' energy: -145.847
flat angles P-C4'-P energy: -79.147
tors. eta vs tors. theta energy: -135.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1850.378368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.378368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.378368 (E_RNA)
where:
Base-Base interactions energy: -1206.975
where: short stacking energy: -590.019
Base-Backbone interact. energy: -2.936
local terms energy: -640.467330
where:
bonds (distance) C4'-P energy: -138.651
bonds (distance) P-C4' energy: -129.454
flat angles C4'-P-C4' energy: -141.843
flat angles P-C4'-P energy: -94.091
tors. eta vs tors. theta energy: -136.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1659.559827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.559827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.559827 (E_RNA)
where:
Base-Base interactions energy: -1102.598
where: short stacking energy: -481.231
Base-Backbone interact. energy: -4.343
local terms energy: -552.619117
where:
bonds (distance) C4'-P energy: -129.796
bonds (distance) P-C4' energy: -115.576
flat angles C4'-P-C4' energy: -128.011
flat angles P-C4'-P energy: -75.211
tors. eta vs tors. theta energy: -104.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1535.478280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.478280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.478280 (E_RNA)
where:
Base-Base interactions energy: -970.034
where: short stacking energy: -463.199
Base-Backbone interact. energy: -0.010
local terms energy: -565.434731
where:
bonds (distance) C4'-P energy: -127.865
bonds (distance) P-C4' energy: -119.118
flat angles C4'-P-C4' energy: -128.472
flat angles P-C4'-P energy: -70.651
tors. eta vs tors. theta energy: -119.328
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: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1426.904816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.904816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.904816 (E_RNA)
where:
Base-Base interactions energy: -900.913
where: short stacking energy: -388.530
Base-Backbone interact. energy: -0.767
local terms energy: -525.224237
where:
bonds (distance) C4'-P energy: -102.298
bonds (distance) P-C4' energy: -136.186
flat angles C4'-P-C4' energy: -132.530
flat angles P-C4'-P energy: -72.140
tors. eta vs tors. theta energy: -82.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1166.826828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.826828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.826828 (E_RNA)
where:
Base-Base interactions energy: -710.370
where: short stacking energy: -390.666
Base-Backbone interact. energy: 4.139
local terms energy: -460.595473
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -110.326
flat angles C4'-P-C4' energy: -116.105
flat angles P-C4'-P energy: -64.640
tors. eta vs tors. theta energy: -65.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -957.354463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.354463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.354463 (E_RNA)
where:
Base-Base interactions energy: -507.006
where: short stacking energy: -290.957
Base-Backbone interact. energy: 1.449
local terms energy: -451.797738
where:
bonds (distance) C4'-P energy: -98.775
bonds (distance) P-C4' energy: -120.159
flat angles C4'-P-C4' energy: -98.791
flat angles P-C4'-P energy: -91.183
tors. eta vs tors. theta energy: -42.891
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: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -866.615601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.615601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.615601 (E_RNA)
where:
Base-Base interactions energy: -462.907
where: short stacking energy: -261.171
Base-Backbone interact. energy: -0.912
local terms energy: -402.797235
where:
bonds (distance) C4'-P energy: -109.759
bonds (distance) P-C4' energy: -117.835
flat angles C4'-P-C4' energy: -101.872
flat angles P-C4'-P energy: -57.382
tors. eta vs tors. theta energy: -15.949
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -721.198651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.198651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.198651 (E_RNA)
where:
Base-Base interactions energy: -335.153
where: short stacking energy: -212.525
Base-Backbone interact. energy: 3.534
local terms energy: -389.579687
where:
bonds (distance) C4'-P energy: -107.236
bonds (distance) P-C4' energy: -117.626
flat angles C4'-P-C4' energy: -106.205
flat angles P-C4'-P energy: -65.880
tors. eta vs tors. theta energy: 7.367
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: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -590.800819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.800819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.800819 (E_RNA)
where:
Base-Base interactions energy: -244.054
where: short stacking energy: -150.087
Base-Backbone interact. energy: 4.410
local terms energy: -351.156770
where:
bonds (distance) C4'-P energy: -115.287
bonds (distance) P-C4' energy: -111.717
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: 11.546
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: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1951.524095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.524095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.524095 (E_RNA)
where:
Base-Base interactions energy: -1285.552
where: short stacking energy: -560.491
Base-Backbone interact. energy: 3.912
local terms energy: -669.884087
where:
bonds (distance) C4'-P energy: -125.454
bonds (distance) P-C4' energy: -146.594
flat angles C4'-P-C4' energy: -155.192
flat angles P-C4'-P energy: -98.782
tors. eta vs tors. theta energy: -143.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1871.094672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.094672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.094672 (E_RNA)
where:
Base-Base interactions energy: -1223.195
where: short stacking energy: -579.712
Base-Backbone interact. energy: 1.901
local terms energy: -649.800145
where:
bonds (distance) C4'-P energy: -134.108
bonds (distance) P-C4' energy: -131.799
flat angles C4'-P-C4' energy: -143.787
flat angles P-C4'-P energy: -91.761
tors. eta vs tors. theta energy: -148.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1688.256673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.256673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.256673 (E_RNA)
where:
Base-Base interactions energy: -1139.883
where: short stacking energy: -490.131
Base-Backbone interact. energy: -0.213
local terms energy: -548.161082
where:
bonds (distance) C4'-P energy: -117.468
bonds (distance) P-C4' energy: -130.754
flat angles C4'-P-C4' energy: -117.799
flat angles P-C4'-P energy: -75.308
tors. eta vs tors. theta energy: -106.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1497.335310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.335310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.335310 (E_RNA)
where:
Base-Base interactions energy: -956.447
where: short stacking energy: -443.902
Base-Backbone interact. energy: -1.501
local terms energy: -539.386900
where:
bonds (distance) C4'-P energy: -129.061
bonds (distance) P-C4' energy: -126.645
flat angles C4'-P-C4' energy: -112.243
flat angles P-C4'-P energy: -76.867
tors. eta vs tors. theta energy: -94.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1471.582768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.582768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.582768 (E_RNA)
where:
Base-Base interactions energy: -915.575
where: short stacking energy: -436.875
Base-Backbone interact. energy: -2.430
local terms energy: -553.577491
where:
bonds (distance) C4'-P energy: -123.058
bonds (distance) P-C4' energy: -134.760
flat angles C4'-P-C4' energy: -126.961
flat angles P-C4'-P energy: -76.257
tors. eta vs tors. theta energy: -92.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1205.984855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.984855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.984855 (E_RNA)
where:
Base-Base interactions energy: -733.623
where: short stacking energy: -409.712
Base-Backbone interact. energy: 2.007
local terms energy: -474.368259
where:
bonds (distance) C4'-P energy: -110.960
bonds (distance) P-C4' energy: -109.246
flat angles C4'-P-C4' energy: -110.467
flat angles P-C4'-P energy: -78.608
tors. eta vs tors. theta energy: -65.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -946.001223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.001223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.001223 (E_RNA)
where:
Base-Base interactions energy: -528.848
where: short stacking energy: -292.991
Base-Backbone interact. energy: 0.204
local terms energy: -417.357262
where:
bonds (distance) C4'-P energy: -121.622
bonds (distance) P-C4' energy: -111.076
flat angles C4'-P-C4' energy: -95.646
flat angles P-C4'-P energy: -68.164
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -837.079493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.079493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.079493 (E_RNA)
where:
Base-Base interactions energy: -410.470
where: short stacking energy: -244.631
Base-Backbone interact. energy: 1.501
local terms energy: -428.110498
where:
bonds (distance) C4'-P energy: -125.907
bonds (distance) P-C4' energy: -128.114
flat angles C4'-P-C4' energy: -77.523
flat angles P-C4'-P energy: -67.638
tors. eta vs tors. theta energy: -28.928
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: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -706.812223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.812223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.812223 (E_RNA)
where:
Base-Base interactions energy: -329.473
where: short stacking energy: -195.105
Base-Backbone interact. energy: 2.029
local terms energy: -379.367980
where:
bonds (distance) C4'-P energy: -118.220
bonds (distance) P-C4' energy: -125.292
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -47.052
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -595.254852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.254852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.254852 (E_RNA)
where:
Base-Base interactions energy: -286.033
where: short stacking energy: -193.451
Base-Backbone interact. energy: 4.925
local terms energy: -314.146606
where:
bonds (distance) C4'-P energy: -96.855
bonds (distance) P-C4' energy: -101.487
flat angles C4'-P-C4' energy: -78.245
flat angles P-C4'-P energy: -49.352
tors. eta vs tors. theta energy: 11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1946.677581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.677581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.677581 (E_RNA)
where:
Base-Base interactions energy: -1288.281
where: short stacking energy: -591.323
Base-Backbone interact. energy: 2.613
local terms energy: -661.009713
where:
bonds (distance) C4'-P energy: -127.653
bonds (distance) P-C4' energy: -147.992
flat angles C4'-P-C4' energy: -144.562
flat angles P-C4'-P energy: -91.276
tors. eta vs tors. theta energy: -149.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1882.613687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.613687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.613687 (E_RNA)
where:
Base-Base interactions energy: -1212.658
where: short stacking energy: -583.398
Base-Backbone interact. energy: -1.786
local terms energy: -668.169914
where:
bonds (distance) C4'-P energy: -124.248
bonds (distance) P-C4' energy: -140.336
flat angles C4'-P-C4' energy: -143.164
flat angles P-C4'-P energy: -96.723
tors. eta vs tors. theta energy: -163.699
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: 28
Temperature: 1.000000
Total energy: -1691.759574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.759574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.759574 (E_RNA)
where:
Base-Base interactions energy: -1113.279
where: short stacking energy: -499.418
Base-Backbone interact. energy: -2.293
local terms energy: -576.187676
where:
bonds (distance) C4'-P energy: -131.035
bonds (distance) P-C4' energy: -124.440
flat angles C4'-P-C4' energy: -135.479
flat angles P-C4'-P energy: -71.060
tors. eta vs tors. theta energy: -114.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1555.637979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.637979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.637979 (E_RNA)
where:
Base-Base interactions energy: -992.687
where: short stacking energy: -464.259
Base-Backbone interact. energy: 1.276
local terms energy: -564.226625
where:
bonds (distance) C4'-P energy: -128.792
bonds (distance) P-C4' energy: -111.711
flat angles C4'-P-C4' energy: -140.037
flat angles P-C4'-P energy: -87.324
tors. eta vs tors. theta energy: -96.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1496.462987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.462987 (E_RNA)
where:
Base-Base interactions energy: -940.950
where: short stacking energy: -432.014
Base-Backbone interact. energy: -2.159
local terms energy: -553.354601
where:
bonds (distance) C4'-P energy: -117.273
bonds (distance) P-C4' energy: -133.718
flat angles C4'-P-C4' energy: -130.545
flat angles P-C4'-P energy: -72.488
tors. eta vs tors. theta energy: -99.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1197.120882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.120882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.120882 (E_RNA)
where:
Base-Base interactions energy: -713.057
where: short stacking energy: -378.190
Base-Backbone interact. energy: 1.887
local terms energy: -485.950972
where:
bonds (distance) C4'-P energy: -112.787
bonds (distance) P-C4' energy: -127.948
flat angles C4'-P-C4' energy: -120.945
flat angles P-C4'-P energy: -49.119
tors. eta vs tors. theta energy: -75.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -965.556883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.556883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.556883 (E_RNA)
where:
Base-Base interactions energy: -497.397
where: short stacking energy: -290.613
Base-Backbone interact. energy: -1.401
local terms energy: -466.758587
where:
bonds (distance) C4'-P energy: -113.055
bonds (distance) P-C4' energy: -115.628
flat angles C4'-P-C4' energy: -122.727
flat angles P-C4'-P energy: -66.949
tors. eta vs tors. theta energy: -48.399
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: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -784.449314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.449314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.449314 (E_RNA)
where:
Base-Base interactions energy: -391.848
where: short stacking energy: -242.161
Base-Backbone interact. energy: -1.388
local terms energy: -391.213309
where:
bonds (distance) C4'-P energy: -113.546
bonds (distance) P-C4' energy: -110.121
flat angles C4'-P-C4' energy: -81.720
flat angles P-C4'-P energy: -63.926
tors. eta vs tors. theta energy: -21.900
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: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -733.708437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.708437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.708437 (E_RNA)
where:
Base-Base interactions energy: -367.095
where: short stacking energy: -215.502
Base-Backbone interact. energy: 8.717
local terms energy: -375.330347
where:
bonds (distance) C4'-P energy: -90.623
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -97.483
flat angles P-C4'-P energy: -63.130
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -586.485949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.485949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.485949 (E_RNA)
where:
Base-Base interactions energy: -263.092
where: short stacking energy: -146.247
Base-Backbone interact. energy: 6.230
local terms energy: -329.623777
where:
bonds (distance) C4'-P energy: -94.204
bonds (distance) P-C4' energy: -97.677
flat angles C4'-P-C4' energy: -109.506
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: 16.168
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: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1997.820922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.820922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.820922 (E_RNA)
where:
Base-Base interactions energy: -1319.262
where: short stacking energy: -584.262
Base-Backbone interact. energy: -0.508
local terms energy: -678.050579
where:
bonds (distance) C4'-P energy: -132.651
bonds (distance) P-C4' energy: -148.996
flat angles C4'-P-C4' energy: -150.072
flat angles P-C4'-P energy: -93.543
tors. eta vs tors. theta energy: -152.788
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: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1892.899862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.899862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.899862 (E_RNA)
where:
Base-Base interactions energy: -1266.736
where: short stacking energy: -567.895
Base-Backbone interact. energy: -5.396
local terms energy: -620.767362
where:
bonds (distance) C4'-P energy: -118.719
bonds (distance) P-C4' energy: -137.150
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -86.241
tors. eta vs tors. theta energy: -143.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1588.353800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.353800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.353800 (E_RNA)
where:
Base-Base interactions energy: -1021.096
where: short stacking energy: -455.739
Base-Backbone interact. energy: -3.608
local terms energy: -563.649584
where:
bonds (distance) C4'-P energy: -124.874
bonds (distance) P-C4' energy: -106.332
flat angles C4'-P-C4' energy: -124.566
flat angles P-C4'-P energy: -88.765
tors. eta vs tors. theta energy: -119.112
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: 29
Temperature: 1.050000
Total energy: -1610.849655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.849655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.849655 (E_RNA)
where:
Base-Base interactions energy: -1038.497
where: short stacking energy: -499.152
Base-Backbone interact. energy: -1.123
local terms energy: -571.230072
where:
bonds (distance) C4'-P energy: -116.417
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -134.522
flat angles P-C4'-P energy: -83.809
tors. eta vs tors. theta energy: -115.734
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: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1419.238347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.238347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.238347 (E_RNA)
where:
Base-Base interactions energy: -886.179
where: short stacking energy: -415.685
Base-Backbone interact. energy: -3.245
local terms energy: -529.814729
where:
bonds (distance) C4'-P energy: -115.333
bonds (distance) P-C4' energy: -116.773
flat angles C4'-P-C4' energy: -133.188
flat angles P-C4'-P energy: -64.803
tors. eta vs tors. theta energy: -99.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1212.060829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.060829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.060829 (E_RNA)
where:
Base-Base interactions energy: -716.398
where: short stacking energy: -352.066
Base-Backbone interact. energy: 6.340
local terms energy: -502.002500
where:
bonds (distance) C4'-P energy: -105.067
bonds (distance) P-C4' energy: -121.438
flat angles C4'-P-C4' energy: -133.975
flat angles P-C4'-P energy: -78.624
tors. eta vs tors. theta energy: -62.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1000.939967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.939967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.939967 (E_RNA)
where:
Base-Base interactions energy: -531.938
where: short stacking energy: -303.714
Base-Backbone interact. energy: -2.409
local terms energy: -466.593358
where:
bonds (distance) C4'-P energy: -103.923
bonds (distance) P-C4' energy: -118.178
flat angles C4'-P-C4' energy: -127.964
flat angles P-C4'-P energy: -81.424
tors. eta vs tors. theta energy: -35.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -863.615534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.615534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.615534 (E_RNA)
where:
Base-Base interactions energy: -431.414
where: short stacking energy: -258.529
Base-Backbone interact. energy: -2.806
local terms energy: -429.395865
where:
bonds (distance) C4'-P energy: -125.961
bonds (distance) P-C4' energy: -108.392
flat angles C4'-P-C4' energy: -106.635
flat angles P-C4'-P energy: -60.070
tors. eta vs tors. theta energy: -28.338
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: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -780.587338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.587338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.587338 (E_RNA)
where:
Base-Base interactions energy: -386.562
where: short stacking energy: -221.333
Base-Backbone interact. energy: 7.066
local terms energy: -401.091195
where:
bonds (distance) C4'-P energy: -92.761
bonds (distance) P-C4' energy: -129.674
flat angles C4'-P-C4' energy: -101.316
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -19.947
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -623.890556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.890556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.890556 (E_RNA)
where:
Base-Base interactions energy: -271.974
where: short stacking energy: -180.618
Base-Backbone interact. energy: -0.666
local terms energy: -351.250328
where:
bonds (distance) C4'-P energy: -96.590
bonds (distance) P-C4' energy: -119.213
flat angles C4'-P-C4' energy: -77.546
flat angles P-C4'-P energy: -63.114
tors. eta vs tors. theta energy: 5.212
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: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1962.943850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.943850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.943850 (E_RNA)
where:
Base-Base interactions energy: -1323.921
where: short stacking energy: -581.270
Base-Backbone interact. energy: 1.510
local terms energy: -640.533548
where:
bonds (distance) C4'-P energy: -122.480
bonds (distance) P-C4' energy: -120.373
flat angles C4'-P-C4' energy: -150.528
flat angles P-C4'-P energy: -91.283
tors. eta vs tors. theta energy: -155.869
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: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1884.728656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.728656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.728656 (E_RNA)
where:
Base-Base interactions energy: -1264.165
where: short stacking energy: -580.909
Base-Backbone interact. energy: -2.355
local terms energy: -618.208725
where:
bonds (distance) C4'-P energy: -132.362
bonds (distance) P-C4' energy: -126.000
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -91.600
tors. eta vs tors. theta energy: -135.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1712.908094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.908094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.908094 (E_RNA)
where:
Base-Base interactions energy: -1104.876
where: short stacking energy: -501.443
Base-Backbone interact. energy: -4.124
local terms energy: -603.907921
where:
bonds (distance) C4'-P energy: -132.115
bonds (distance) P-C4' energy: -118.446
flat angles C4'-P-C4' energy: -123.765
flat angles P-C4'-P energy: -95.865
tors. eta vs tors. theta energy: -133.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1541.685311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.685311 (E_RNA)
where:
Base-Base interactions energy: -1002.632
where: short stacking energy: -444.762
Base-Backbone interact. energy: -1.995
local terms energy: -537.058817
where:
bonds (distance) C4'-P energy: -116.832
bonds (distance) P-C4' energy: -124.165
flat angles C4'-P-C4' energy: -121.694
flat angles P-C4'-P energy: -71.080
tors. eta vs tors. theta energy: -103.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1481.568840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.568840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.568840 (E_RNA)
where:
Base-Base interactions energy: -977.231
where: short stacking energy: -434.460
Base-Backbone interact. energy: 2.943
local terms energy: -507.280418
where:
bonds (distance) C4'-P energy: -92.101
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -122.100
flat angles P-C4'-P energy: -79.537
tors. eta vs tors. theta energy: -100.721
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1221.895073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.895073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.895073 (E_RNA)
where:
Base-Base interactions energy: -754.805
where: short stacking energy: -392.909
Base-Backbone interact. energy: -1.494
local terms energy: -465.596078
where:
bonds (distance) C4'-P energy: -103.626
bonds (distance) P-C4' energy: -122.082
flat angles C4'-P-C4' energy: -112.861
flat angles P-C4'-P energy: -54.448
tors. eta vs tors. theta energy: -72.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1115.818066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.818066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.818066 (E_RNA)
where:
Base-Base interactions energy: -660.563
where: short stacking energy: -314.252
Base-Backbone interact. energy: 1.165
local terms energy: -456.419880
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -128.540
flat angles C4'-P-C4' energy: -122.293
flat angles P-C4'-P energy: -64.859
tors. eta vs tors. theta energy: -39.562
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: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -745.235519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.235519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.235519 (E_RNA)
where:
Base-Base interactions energy: -381.282
where: short stacking energy: -209.470
Base-Backbone interact. energy: 10.339
local terms energy: -374.292814
where:
bonds (distance) C4'-P energy: -110.395
bonds (distance) P-C4' energy: -120.922
flat angles C4'-P-C4' energy: -85.261
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: 0.811
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: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -793.296775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.296775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.296775 (E_RNA)
where:
Base-Base interactions energy: -432.369
where: short stacking energy: -226.375
Base-Backbone interact. energy: -1.583
local terms energy: -359.344962
where:
bonds (distance) C4'-P energy: -108.744
bonds (distance) P-C4' energy: -101.936
flat angles C4'-P-C4' energy: -87.546
flat angles P-C4'-P energy: -61.845
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -606.772527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.772527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.772527 (E_RNA)
where:
Base-Base interactions energy: -257.256
where: short stacking energy: -150.418
Base-Backbone interact. energy: -0.688
local terms energy: -348.828438
where:
bonds (distance) C4'-P energy: -110.998
bonds (distance) P-C4' energy: -119.156
flat angles C4'-P-C4' energy: -83.410
flat angles P-C4'-P energy: -54.908
tors. eta vs tors. theta energy: 19.643
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: 31
Temperature: 0.900000
Total energy: -1952.267579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.267579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.267579 (E_RNA)
where:
Base-Base interactions energy: -1326.100
where: short stacking energy: -570.958
Base-Backbone interact. energy: 1.071
local terms energy: -627.239164
where:
bonds (distance) C4'-P energy: -120.178
bonds (distance) P-C4' energy: -132.465
flat angles C4'-P-C4' energy: -142.770
flat angles P-C4'-P energy: -83.098
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: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1911.450324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.450324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.450324 (E_RNA)
where:
Base-Base interactions energy: -1278.173
where: short stacking energy: -614.466
Base-Backbone interact. energy: 0.234
local terms energy: -633.511213
where:
bonds (distance) C4'-P energy: -118.614
bonds (distance) P-C4' energy: -121.342
flat angles C4'-P-C4' energy: -133.892
flat angles P-C4'-P energy: -95.254
tors. eta vs tors. theta energy: -164.408
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: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1701.145721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.145721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.145721 (E_RNA)
where:
Base-Base interactions energy: -1077.060
where: short stacking energy: -516.623
Base-Backbone interact. energy: 1.068
local terms energy: -625.153337
where:
bonds (distance) C4'-P energy: -128.026
bonds (distance) P-C4' energy: -139.942
flat angles C4'-P-C4' energy: -137.174
flat angles P-C4'-P energy: -86.372
tors. eta vs tors. theta energy: -133.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1592.773349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.773349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.773349 (E_RNA)
where:
Base-Base interactions energy: -1050.741
where: short stacking energy: -449.017
Base-Backbone interact. energy: 3.001
local terms energy: -545.033615
where:
bonds (distance) C4'-P energy: -127.127
bonds (distance) P-C4' energy: -138.776
flat angles C4'-P-C4' energy: -108.691
flat angles P-C4'-P energy: -74.896
tors. eta vs tors. theta energy: -95.543
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: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1523.139959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.139959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.139959 (E_RNA)
where:
Base-Base interactions energy: -999.067
where: short stacking energy: -435.915
Base-Backbone interact. energy: -3.699
local terms energy: -520.373243
where:
bonds (distance) C4'-P energy: -117.316
bonds (distance) P-C4' energy: -117.918
flat angles C4'-P-C4' energy: -119.029
flat angles P-C4'-P energy: -65.815
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: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1271.113869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.113869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.113869 (E_RNA)
where:
Base-Base interactions energy: -778.616
where: short stacking energy: -419.869
Base-Backbone interact. energy: -1.247
local terms energy: -491.250709
where:
bonds (distance) C4'-P energy: -100.933
bonds (distance) P-C4' energy: -113.565
flat angles C4'-P-C4' energy: -126.750
flat angles P-C4'-P energy: -65.551
tors. eta vs tors. theta energy: -84.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1103.505476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.505476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.505476 (E_RNA)
where:
Base-Base interactions energy: -625.323
where: short stacking energy: -310.540
Base-Backbone interact. energy: -1.239
local terms energy: -476.943013
where:
bonds (distance) C4'-P energy: -103.991
bonds (distance) P-C4' energy: -127.974
flat angles C4'-P-C4' energy: -108.028
flat angles P-C4'-P energy: -64.658
tors. eta vs tors. theta energy: -72.290
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: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -900.680232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.680232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.680232 (E_RNA)
where:
Base-Base interactions energy: -488.271
where: short stacking energy: -246.659
Base-Backbone interact. energy: -4.275
local terms energy: -408.134076
where:
bonds (distance) C4'-P energy: -113.913
bonds (distance) P-C4' energy: -124.411
flat angles C4'-P-C4' energy: -95.760
flat angles P-C4'-P energy: -69.068
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -741.611519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.611519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.611519 (E_RNA)
where:
Base-Base interactions energy: -364.133
where: short stacking energy: -210.531
Base-Backbone interact. energy: -2.648
local terms energy: -374.831331
where:
bonds (distance) C4'-P energy: -103.239
bonds (distance) P-C4' energy: -109.710
flat angles C4'-P-C4' energy: -102.439
flat angles P-C4'-P energy: -58.240
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -531.338051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.338051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.338051 (E_RNA)
where:
Base-Base interactions energy: -222.970
where: short stacking energy: -163.371
Base-Backbone interact. energy: 4.618
local terms energy: -312.985344
where:
bonds (distance) C4'-P energy: -97.086
bonds (distance) P-C4' energy: -96.779
flat angles C4'-P-C4' energy: -84.113
flat angles P-C4'-P energy: -61.529
tors. eta vs tors. theta energy: 26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1945.205419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.205419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.205419 (E_RNA)
where:
Base-Base interactions energy: -1306.577
where: short stacking energy: -583.835
Base-Backbone interact. energy: 2.788
local terms energy: -641.416411
where:
bonds (distance) C4'-P energy: -121.622
bonds (distance) P-C4' energy: -133.862
flat angles C4'-P-C4' energy: -146.240
flat angles P-C4'-P energy: -89.718
tors. eta vs tors. theta energy: -149.973
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: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1867.633319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.633319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.633319 (E_RNA)
where:
Base-Base interactions energy: -1228.691
where: short stacking energy: -562.168
Base-Backbone interact. energy: 0.217
local terms energy: -639.159066
where:
bonds (distance) C4'-P energy: -120.821
bonds (distance) P-C4' energy: -134.616
flat angles C4'-P-C4' energy: -132.377
flat angles P-C4'-P energy: -105.346
tors. eta vs tors. theta energy: -145.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1704.064021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.064021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.064021 (E_RNA)
where:
Base-Base interactions energy: -1107.909
where: short stacking energy: -522.451
Base-Backbone interact. energy: -0.271
local terms energy: -595.884200
where:
bonds (distance) C4'-P energy: -121.715
bonds (distance) P-C4' energy: -126.781
flat angles C4'-P-C4' energy: -126.511
flat angles P-C4'-P energy: -91.996
tors. eta vs tors. theta energy: -128.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1616.969199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.969199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.969199 (E_RNA)
where:
Base-Base interactions energy: -1062.406
where: short stacking energy: -464.882
Base-Backbone interact. energy: -1.083
local terms energy: -553.479863
where:
bonds (distance) C4'-P energy: -122.152
bonds (distance) P-C4' energy: -125.826
flat angles C4'-P-C4' energy: -130.802
flat angles P-C4'-P energy: -69.673
tors. eta vs tors. theta energy: -105.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1513.864754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.864754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.864754 (E_RNA)
where:
Base-Base interactions energy: -994.277
where: short stacking energy: -447.099
Base-Backbone interact. energy: -4.114
local terms energy: -515.474175
where:
bonds (distance) C4'-P energy: -109.850
bonds (distance) P-C4' energy: -116.213
flat angles C4'-P-C4' energy: -115.279
flat angles P-C4'-P energy: -76.946
tors. eta vs tors. theta energy: -97.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1294.770560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.770560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.770560 (E_RNA)
where:
Base-Base interactions energy: -793.563
where: short stacking energy: -419.161
Base-Backbone interact. energy: -1.490
local terms energy: -499.717702
where:
bonds (distance) C4'-P energy: -107.569
bonds (distance) P-C4' energy: -121.790
flat angles C4'-P-C4' energy: -118.274
flat angles P-C4'-P energy: -72.272
tors. eta vs tors. theta energy: -79.813
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: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1146.237201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.237201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.237201 (E_RNA)
where:
Base-Base interactions energy: -641.422
where: short stacking energy: -325.250
Base-Backbone interact. energy: -0.795
local terms energy: -504.019707
where:
bonds (distance) C4'-P energy: -120.665
bonds (distance) P-C4' energy: -125.403
flat angles C4'-P-C4' energy: -125.771
flat angles P-C4'-P energy: -76.349
tors. eta vs tors. theta energy: -55.832
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: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -897.311116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.311116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.311116 (E_RNA)
where:
Base-Base interactions energy: -491.230
where: short stacking energy: -270.226
Base-Backbone interact. energy: -1.288
local terms energy: -404.792444
where:
bonds (distance) C4'-P energy: -97.893
bonds (distance) P-C4' energy: -96.635
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -69.003
tors. eta vs tors. theta energy: -26.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -733.111714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.111714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.111714 (E_RNA)
where:
Base-Base interactions energy: -377.694
where: short stacking energy: -213.506
Base-Backbone interact. energy: 8.455
local terms energy: -363.872299
where:
bonds (distance) C4'-P energy: -92.895
bonds (distance) P-C4' energy: -114.391
flat angles C4'-P-C4' energy: -90.081
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -569.112064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.112064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.112064 (E_RNA)
where:
Base-Base interactions energy: -247.077
where: short stacking energy: -174.807
Base-Backbone interact. energy: 0.606
local terms energy: -322.640807
where:
bonds (distance) C4'-P energy: -102.788
bonds (distance) P-C4' energy: -105.841
flat angles C4'-P-C4' energy: -82.460
flat angles P-C4'-P energy: -38.622
tors. eta vs tors. theta energy: 7.070
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: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1968.388831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.388831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.388831 (E_RNA)
where:
Base-Base interactions energy: -1299.483
where: short stacking energy: -590.860
Base-Backbone interact. energy: -2.390
local terms energy: -666.515874
where:
bonds (distance) C4'-P energy: -128.805
bonds (distance) P-C4' energy: -144.599
flat angles C4'-P-C4' energy: -144.032
flat angles P-C4'-P energy: -92.071
tors. eta vs tors. theta energy: -157.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1892.119477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.119477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.119477 (E_RNA)
where:
Base-Base interactions energy: -1269.288
where: short stacking energy: -579.341
Base-Backbone interact. energy: -3.138
local terms energy: -619.693025
where:
bonds (distance) C4'-P energy: -121.498
bonds (distance) P-C4' energy: -125.044
flat angles C4'-P-C4' energy: -137.215
flat angles P-C4'-P energy: -84.489
tors. eta vs tors. theta energy: -151.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1710.061241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.061241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.061241 (E_RNA)
where:
Base-Base interactions energy: -1117.317
where: short stacking energy: -505.496
Base-Backbone interact. energy: -0.887
local terms energy: -591.857114
where:
bonds (distance) C4'-P energy: -127.665
bonds (distance) P-C4' energy: -123.087
flat angles C4'-P-C4' energy: -131.651
flat angles P-C4'-P energy: -81.797
tors. eta vs tors. theta energy: -127.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1614.599687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.599687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.599687 (E_RNA)
where:
Base-Base interactions energy: -1035.973
where: short stacking energy: -450.050
Base-Backbone interact. energy: -3.631
local terms energy: -574.995837
where:
bonds (distance) C4'-P energy: -121.742
bonds (distance) P-C4' energy: -135.229
flat angles C4'-P-C4' energy: -120.559
flat angles P-C4'-P energy: -83.852
tors. eta vs tors. theta energy: -113.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1530.130163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.130163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.130163 (E_RNA)
where:
Base-Base interactions energy: -1028.886
where: short stacking energy: -453.734
Base-Backbone interact. energy: -0.809
local terms energy: -500.435454
where:
bonds (distance) C4'-P energy: -101.110
bonds (distance) P-C4' energy: -112.409
flat angles C4'-P-C4' energy: -118.726
flat angles P-C4'-P energy: -77.650
tors. eta vs tors. theta energy: -90.541
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: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1295.524005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.524005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.524005 (E_RNA)
where:
Base-Base interactions energy: -784.557
where: short stacking energy: -369.780
Base-Backbone interact. energy: -1.884
local terms energy: -509.082855
where:
bonds (distance) C4'-P energy: -120.435
bonds (distance) P-C4' energy: -111.900
flat angles C4'-P-C4' energy: -115.292
flat angles P-C4'-P energy: -84.909
tors. eta vs tors. theta energy: -76.547
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: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1089.413378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.413378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.413378 (E_RNA)
where:
Base-Base interactions energy: -638.927
where: short stacking energy: -319.815
Base-Backbone interact. energy: 5.360
local terms energy: -455.845424
where:
bonds (distance) C4'-P energy: -106.619
bonds (distance) P-C4' energy: -123.389
flat angles C4'-P-C4' energy: -121.348
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -38.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1050.290957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.290957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.290957 (E_RNA)
where:
Base-Base interactions energy: -589.603
where: short stacking energy: -297.802
Base-Backbone interact. energy: -1.697
local terms energy: -458.991115
where:
bonds (distance) C4'-P energy: -112.832
bonds (distance) P-C4' energy: -125.877
flat angles C4'-P-C4' energy: -99.057
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -656.942071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.942071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.942071 (E_RNA)
where:
Base-Base interactions energy: -281.738
where: short stacking energy: -217.869
Base-Backbone interact. energy: 6.820
local terms energy: -382.024910
where:
bonds (distance) C4'-P energy: -106.083
bonds (distance) P-C4' energy: -108.617
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -51.531
tors. eta vs tors. theta energy: -0.189
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: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -643.380384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.380384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.380384 (E_RNA)
where:
Base-Base interactions energy: -304.170
where: short stacking energy: -212.079
Base-Backbone interact. energy: 2.058
local terms energy: -341.268660
where:
bonds (distance) C4'-P energy: -106.445
bonds (distance) P-C4' energy: -109.418
flat angles C4'-P-C4' energy: -81.847
flat angles P-C4'-P energy: -50.143
tors. eta vs tors. theta energy: 6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1998.499975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.499975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.499975 (E_RNA)
where:
Base-Base interactions energy: -1325.267
where: short stacking energy: -611.925
Base-Backbone interact. energy: -1.399
local terms energy: -671.834732
where:
bonds (distance) C4'-P energy: -126.633
bonds (distance) P-C4' energy: -142.352
flat angles C4'-P-C4' energy: -147.455
flat angles P-C4'-P energy: -93.147
tors. eta vs tors. theta energy: -162.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1924.136760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.136760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.136760 (E_RNA)
where:
Base-Base interactions energy: -1287.629
where: short stacking energy: -611.830
Base-Backbone interact. energy: -1.853
local terms energy: -634.654480
where:
bonds (distance) C4'-P energy: -115.699
bonds (distance) P-C4' energy: -122.143
flat angles C4'-P-C4' energy: -143.258
flat angles P-C4'-P energy: -93.924
tors. eta vs tors. theta energy: -159.631
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: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1721.250086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.250086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.250086 (E_RNA)
where:
Base-Base interactions energy: -1118.451
where: short stacking energy: -531.616
Base-Backbone interact. energy: 4.251
local terms energy: -607.050543
where:
bonds (distance) C4'-P energy: -130.335
bonds (distance) P-C4' energy: -135.966
flat angles C4'-P-C4' energy: -128.612
flat angles P-C4'-P energy: -74.156
tors. eta vs tors. theta energy: -137.981
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: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1593.354995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.354995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.354995 (E_RNA)
where:
Base-Base interactions energy: -1068.380
where: short stacking energy: -494.518
Base-Backbone interact. energy: -3.170
local terms energy: -521.805119
where:
bonds (distance) C4'-P energy: -103.375
bonds (distance) P-C4' energy: -101.925
flat angles C4'-P-C4' energy: -135.427
flat angles P-C4'-P energy: -75.566
tors. eta vs tors. theta energy: -105.511
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: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1443.448517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.448517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.448517 (E_RNA)
where:
Base-Base interactions energy: -915.360
where: short stacking energy: -449.742
Base-Backbone interact. energy: 1.587
local terms energy: -529.675582
where:
bonds (distance) C4'-P energy: -126.599
bonds (distance) P-C4' energy: -126.311
flat angles C4'-P-C4' energy: -116.666
flat angles P-C4'-P energy: -60.944
tors. eta vs tors. theta energy: -99.156
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: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1296.248024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.248024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.248024 (E_RNA)
where:
Base-Base interactions energy: -781.116
where: short stacking energy: -409.902
Base-Backbone interact. energy: 0.242
local terms energy: -515.374552
where:
bonds (distance) C4'-P energy: -104.430
bonds (distance) P-C4' energy: -121.338
flat angles C4'-P-C4' energy: -131.394
flat angles P-C4'-P energy: -64.701
tors. eta vs tors. theta energy: -93.511
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: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1123.975362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.975362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.975362 (E_RNA)
where:
Base-Base interactions energy: -680.573
where: short stacking energy: -336.570
Base-Backbone interact. energy: 1.679
local terms energy: -445.080872
where:
bonds (distance) C4'-P energy: -109.704
bonds (distance) P-C4' energy: -112.063
flat angles C4'-P-C4' energy: -107.248
flat angles P-C4'-P energy: -51.499
tors. eta vs tors. theta energy: -64.567
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: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1022.141089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.141089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.141089 (E_RNA)
where:
Base-Base interactions energy: -611.219
where: short stacking energy: -320.152
Base-Backbone interact. energy: 0.660
local terms energy: -411.582116
where:
bonds (distance) C4'-P energy: -95.132
bonds (distance) P-C4' energy: -109.486
flat angles C4'-P-C4' energy: -119.009
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: -42.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -689.026716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.026716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.026716 (E_RNA)
where:
Base-Base interactions energy: -318.636
where: short stacking energy: -198.784
Base-Backbone interact. energy: -1.787
local terms energy: -368.603889
where:
bonds (distance) C4'-P energy: -90.427
bonds (distance) P-C4' energy: -119.867
flat angles C4'-P-C4' energy: -100.021
flat angles P-C4'-P energy: -55.270
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -619.276332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.276332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.276332 (E_RNA)
where:
Base-Base interactions energy: -273.766
where: short stacking energy: -188.317
Base-Backbone interact. energy: -2.773
local terms energy: -342.737201
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -99.716
flat angles C4'-P-C4' energy: -99.972
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: 19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2003.121754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.121754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.121754 (E_RNA)
where:
Base-Base interactions energy: -1346.764
where: short stacking energy: -577.971
Base-Backbone interact. energy: -2.263
local terms energy: -654.093920
where:
bonds (distance) C4'-P energy: -135.094
bonds (distance) P-C4' energy: -133.434
flat angles C4'-P-C4' energy: -131.708
flat angles P-C4'-P energy: -98.119
tors. eta vs tors. theta energy: -155.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1880.306263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.306263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.306263 (E_RNA)
where:
Base-Base interactions energy: -1255.409
where: short stacking energy: -570.073
Base-Backbone interact. energy: -2.370
local terms energy: -622.527907
where:
bonds (distance) C4'-P energy: -131.964
bonds (distance) P-C4' energy: -117.909
flat angles C4'-P-C4' energy: -139.304
flat angles P-C4'-P energy: -90.078
tors. eta vs tors. theta energy: -143.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1756.437717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.437717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.437717 (E_RNA)
where:
Base-Base interactions energy: -1155.103
where: short stacking energy: -520.710
Base-Backbone interact. energy: -0.623
local terms energy: -600.712054
where:
bonds (distance) C4'-P energy: -117.017
bonds (distance) P-C4' energy: -146.999
flat angles C4'-P-C4' energy: -131.723
flat angles P-C4'-P energy: -80.649
tors. eta vs tors. theta energy: -124.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1681.660787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.660787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.660787 (E_RNA)
where:
Base-Base interactions energy: -1105.955
where: short stacking energy: -486.838
Base-Backbone interact. energy: 1.646
local terms energy: -577.351708
where:
bonds (distance) C4'-P energy: -130.990
bonds (distance) P-C4' energy: -105.908
flat angles C4'-P-C4' energy: -129.289
flat angles P-C4'-P energy: -85.291
tors. eta vs tors. theta energy: -125.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1496.028068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.028068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.028068 (E_RNA)
where:
Base-Base interactions energy: -944.002
where: short stacking energy: -436.168
Base-Backbone interact. energy: 0.753
local terms energy: -552.778709
where:
bonds (distance) C4'-P energy: -127.131
bonds (distance) P-C4' energy: -121.934
flat angles C4'-P-C4' energy: -131.148
flat angles P-C4'-P energy: -74.104
tors. eta vs tors. theta energy: -98.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1360.840351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.840351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.840351 (E_RNA)
where:
Base-Base interactions energy: -837.151
where: short stacking energy: -393.242
Base-Backbone interact. energy: -4.207
local terms energy: -519.481993
where:
bonds (distance) C4'-P energy: -116.931
bonds (distance) P-C4' energy: -120.291
flat angles C4'-P-C4' energy: -125.324
flat angles P-C4'-P energy: -75.583
tors. eta vs tors. theta energy: -81.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1208.930518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.930518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.930518 (E_RNA)
where:
Base-Base interactions energy: -727.436
where: short stacking energy: -341.380
Base-Backbone interact. energy: -2.384
local terms energy: -479.110615
where:
bonds (distance) C4'-P energy: -115.625
bonds (distance) P-C4' energy: -116.840
flat angles C4'-P-C4' energy: -116.603
flat angles P-C4'-P energy: -58.743
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1059.879346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.879346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.879346 (E_RNA)
where:
Base-Base interactions energy: -617.769
where: short stacking energy: -305.303
Base-Backbone interact. energy: 0.272
local terms energy: -442.382251
where:
bonds (distance) C4'-P energy: -100.596
bonds (distance) P-C4' energy: -103.725
flat angles C4'-P-C4' energy: -111.161
flat angles P-C4'-P energy: -84.905
tors. eta vs tors. theta energy: -41.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -712.519258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.519258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.519258 (E_RNA)
where:
Base-Base interactions energy: -317.755
where: short stacking energy: -219.523
Base-Backbone interact. energy: -0.041
local terms energy: -394.723409
where:
bonds (distance) C4'-P energy: -92.785
bonds (distance) P-C4' energy: -114.831
flat angles C4'-P-C4' energy: -104.589
flat angles P-C4'-P energy: -57.514
tors. eta vs tors. theta energy: -25.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -617.248939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.248939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.248939 (E_RNA)
where:
Base-Base interactions energy: -272.168
where: short stacking energy: -177.167
Base-Backbone interact. energy: -0.267
local terms energy: -344.813527
where:
bonds (distance) C4'-P energy: -88.460
bonds (distance) P-C4' energy: -118.797
flat angles C4'-P-C4' energy: -96.601
flat angles P-C4'-P energy: -54.204
tors. eta vs tors. theta energy: 13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2008.777309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.777309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.777309 (E_RNA)
where:
Base-Base interactions energy: -1363.452
where: short stacking energy: -604.828
Base-Backbone interact. energy: -2.501
local terms energy: -642.823709
where:
bonds (distance) C4'-P energy: -135.331
bonds (distance) P-C4' energy: -127.530
flat angles C4'-P-C4' energy: -136.567
flat angles P-C4'-P energy: -103.663
tors. eta vs tors. theta energy: -139.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1892.230266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.230266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.230266 (E_RNA)
where:
Base-Base interactions energy: -1250.405
where: short stacking energy: -564.083
Base-Backbone interact. energy: -2.127
local terms energy: -639.698785
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -133.532
flat angles C4'-P-C4' energy: -133.031
flat angles P-C4'-P energy: -98.148
tors. eta vs tors. theta energy: -157.310
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: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1794.649420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.649420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.649420 (E_RNA)
where:
Base-Base interactions energy: -1175.462
where: short stacking energy: -545.883
Base-Backbone interact. energy: 0.060
local terms energy: -619.247413
where:
bonds (distance) C4'-P energy: -132.686
bonds (distance) P-C4' energy: -131.894
flat angles C4'-P-C4' energy: -131.760
flat angles P-C4'-P energy: -76.707
tors. eta vs tors. theta energy: -146.201
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: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1740.204698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.204698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.204698 (E_RNA)
where:
Base-Base interactions energy: -1155.550
where: short stacking energy: -515.725
Base-Backbone interact. energy: -3.502
local terms energy: -581.152635
where:
bonds (distance) C4'-P energy: -128.956
bonds (distance) P-C4' energy: -116.446
flat angles C4'-P-C4' energy: -125.219
flat angles P-C4'-P energy: -79.409
tors. eta vs tors. theta energy: -131.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1482.363728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.363728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.363728 (E_RNA)
where:
Base-Base interactions energy: -913.508
where: short stacking energy: -436.586
Base-Backbone interact. energy: -1.992
local terms energy: -566.863324
where:
bonds (distance) C4'-P energy: -122.630
bonds (distance) P-C4' energy: -118.431
flat angles C4'-P-C4' energy: -140.398
flat angles P-C4'-P energy: -89.376
tors. eta vs tors. theta energy: -96.028
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: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1411.287322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.287322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.287322 (E_RNA)
where:
Base-Base interactions energy: -915.156
where: short stacking energy: -404.605
Base-Backbone interact. energy: -0.341
local terms energy: -495.790050
where:
bonds (distance) C4'-P energy: -106.847
bonds (distance) P-C4' energy: -115.647
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -55.878
tors. eta vs tors. theta energy: -97.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1272.536765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.536765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.536765 (E_RNA)
where:
Base-Base interactions energy: -786.721
where: short stacking energy: -360.966
Base-Backbone interact. energy: 3.049
local terms energy: -488.865047
where:
bonds (distance) C4'-P energy: -118.617
bonds (distance) P-C4' energy: -119.823
flat angles C4'-P-C4' energy: -116.143
flat angles P-C4'-P energy: -52.558
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1055.609342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.609342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.609342 (E_RNA)
where:
Base-Base interactions energy: -617.033
where: short stacking energy: -337.638
Base-Backbone interact. energy: 3.632
local terms energy: -442.208204
where:
bonds (distance) C4'-P energy: -106.090
bonds (distance) P-C4' energy: -108.204
flat angles C4'-P-C4' energy: -111.580
flat angles P-C4'-P energy: -71.882
tors. eta vs tors. theta energy: -44.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -756.636296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.636296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.636296 (E_RNA)
where:
Base-Base interactions energy: -375.399
where: short stacking energy: -248.477
Base-Backbone interact. energy: -0.814
local terms energy: -380.422853
where:
bonds (distance) C4'-P energy: -91.268
bonds (distance) P-C4' energy: -114.987
flat angles C4'-P-C4' energy: -109.172
flat angles P-C4'-P energy: -58.282
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -649.332728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.332728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.332728 (E_RNA)
where:
Base-Base interactions energy: -300.368
where: short stacking energy: -178.271
Base-Backbone interact. energy: 1.645
local terms energy: -350.610066
where:
bonds (distance) C4'-P energy: -101.345
bonds (distance) P-C4' energy: -108.269
flat angles C4'-P-C4' energy: -100.037
flat angles P-C4'-P energy: -51.814
tors. eta vs tors. theta energy: 10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2025.481915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.481915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.481915 (E_RNA)
where:
Base-Base interactions energy: -1347.343
where: short stacking energy: -597.174
Base-Backbone interact. energy: -0.931
local terms energy: -677.207889
where:
bonds (distance) C4'-P energy: -131.899
bonds (distance) P-C4' energy: -157.521
flat angles C4'-P-C4' energy: -140.336
flat angles P-C4'-P energy: -91.812
tors. eta vs tors. theta energy: -155.641
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: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1924.470423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.470423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.470423 (E_RNA)
where:
Base-Base interactions energy: -1265.390
where: short stacking energy: -583.786
Base-Backbone interact. energy: -2.831
local terms energy: -656.248782
where:
bonds (distance) C4'-P energy: -128.688
bonds (distance) P-C4' energy: -139.135
flat angles C4'-P-C4' energy: -143.728
flat angles P-C4'-P energy: -93.728
tors. eta vs tors. theta energy: -150.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1785.907494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.907494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.907494 (E_RNA)
where:
Base-Base interactions energy: -1180.043
where: short stacking energy: -548.502
Base-Backbone interact. energy: -0.001
local terms energy: -605.864099
where:
bonds (distance) C4'-P energy: -126.543
bonds (distance) P-C4' energy: -122.828
flat angles C4'-P-C4' energy: -134.944
flat angles P-C4'-P energy: -78.303
tors. eta vs tors. theta energy: -143.246
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: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1726.707979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.707979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.707979 (E_RNA)
where:
Base-Base interactions energy: -1157.829
where: short stacking energy: -522.457
Base-Backbone interact. energy: -0.745
local terms energy: -568.133743
where:
bonds (distance) C4'-P energy: -109.945
bonds (distance) P-C4' energy: -109.288
flat angles C4'-P-C4' energy: -128.322
flat angles P-C4'-P energy: -95.732
tors. eta vs tors. theta energy: -124.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1473.549549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.549549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.549549 (E_RNA)
where:
Base-Base interactions energy: -924.126
where: short stacking energy: -417.754
Base-Backbone interact. energy: 2.800
local terms energy: -552.223094
where:
bonds (distance) C4'-P energy: -124.926
bonds (distance) P-C4' energy: -109.971
flat angles C4'-P-C4' energy: -131.819
flat angles P-C4'-P energy: -89.791
tors. eta vs tors. theta energy: -95.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1456.117274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.117274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.117274 (E_RNA)
where:
Base-Base interactions energy: -925.766
where: short stacking energy: -422.402
Base-Backbone interact. energy: 0.163
local terms energy: -530.514551
where:
bonds (distance) C4'-P energy: -114.555
bonds (distance) P-C4' energy: -125.826
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -73.185
tors. eta vs tors. theta energy: -105.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1261.496821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.496821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.496821 (E_RNA)
where:
Base-Base interactions energy: -825.495
where: short stacking energy: -355.582
Base-Backbone interact. energy: -0.464
local terms energy: -435.538313
where:
bonds (distance) C4'-P energy: -114.217
bonds (distance) P-C4' energy: -104.695
flat angles C4'-P-C4' energy: -103.713
flat angles P-C4'-P energy: -63.996
tors. eta vs tors. theta energy: -48.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1046.400433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.400433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.400433 (E_RNA)
where:
Base-Base interactions energy: -630.469
where: short stacking energy: -308.227
Base-Backbone interact. energy: -1.718
local terms energy: -414.213519
where:
bonds (distance) C4'-P energy: -85.993
bonds (distance) P-C4' energy: -103.484
flat angles C4'-P-C4' energy: -109.098
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -763.022070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.022070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.022070 (E_RNA)
where:
Base-Base interactions energy: -362.028
where: short stacking energy: -207.708
Base-Backbone interact. energy: -1.794
local terms energy: -399.200705
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -118.299
flat angles C4'-P-C4' energy: -103.056
flat angles P-C4'-P energy: -56.692
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: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -652.886440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.886440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.886440 (E_RNA)
where:
Base-Base interactions energy: -294.894
where: short stacking energy: -162.215
Base-Backbone interact. energy: -4.636
local terms energy: -353.356652
where:
bonds (distance) C4'-P energy: -88.604
bonds (distance) P-C4' energy: -123.157
flat angles C4'-P-C4' energy: -95.545
flat angles P-C4'-P energy: -57.579
tors. eta vs tors. theta energy: 11.529
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: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2041.432609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.432609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.432609 (E_RNA)
where:
Base-Base interactions energy: -1399.824
where: short stacking energy: -614.310
Base-Backbone interact. energy: -2.812
local terms energy: -638.797078
where:
bonds (distance) C4'-P energy: -123.782
bonds (distance) P-C4' energy: -141.224
flat angles C4'-P-C4' energy: -141.307
flat angles P-C4'-P energy: -73.824
tors. eta vs tors. theta energy: -158.660
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: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1964.953085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.953085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.953085 (E_RNA)
where:
Base-Base interactions energy: -1308.992
where: short stacking energy: -576.849
Base-Backbone interact. energy: -2.314
local terms energy: -653.646857
where:
bonds (distance) C4'-P energy: -120.659
bonds (distance) P-C4' energy: -134.130
flat angles C4'-P-C4' energy: -148.583
flat angles P-C4'-P energy: -93.986
tors. eta vs tors. theta energy: -156.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1789.941690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.941690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.941690 (E_RNA)
where:
Base-Base interactions energy: -1198.020
where: short stacking energy: -547.911
Base-Backbone interact. energy: -2.748
local terms energy: -589.172985
where:
bonds (distance) C4'-P energy: -132.804
bonds (distance) P-C4' energy: -125.185
flat angles C4'-P-C4' energy: -123.831
flat angles P-C4'-P energy: -74.875
tors. eta vs tors. theta energy: -132.478
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: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1720.281945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.281945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.281945 (E_RNA)
where:
Base-Base interactions energy: -1146.051
where: short stacking energy: -498.001
Base-Backbone interact. energy: 0.135
local terms energy: -574.366625
where:
bonds (distance) C4'-P energy: -109.836
bonds (distance) P-C4' energy: -114.007
flat angles C4'-P-C4' energy: -138.827
flat angles P-C4'-P energy: -89.296
tors. eta vs tors. theta energy: -122.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1651.291417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.291417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.291417 (E_RNA)
where:
Base-Base interactions energy: -1087.560
where: short stacking energy: -498.434
Base-Backbone interact. energy: -0.553
local terms energy: -563.177458
where:
bonds (distance) C4'-P energy: -109.944
bonds (distance) P-C4' energy: -122.483
flat angles C4'-P-C4' energy: -135.448
flat angles P-C4'-P energy: -69.503
tors. eta vs tors. theta energy: -125.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1492.618852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.618852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.618852 (E_RNA)
where:
Base-Base interactions energy: -927.787
where: short stacking energy: -411.925
Base-Backbone interact. energy: 1.179
local terms energy: -566.010996
where:
bonds (distance) C4'-P energy: -115.964
bonds (distance) P-C4' energy: -146.390
flat angles C4'-P-C4' energy: -119.486
flat angles P-C4'-P energy: -77.109
tors. eta vs tors. theta energy: -107.062
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1275.750478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.750478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.750478 (E_RNA)
where:
Base-Base interactions energy: -787.390
where: short stacking energy: -356.555
Base-Backbone interact. energy: -1.540
local terms energy: -486.820675
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -118.020
flat angles C4'-P-C4' energy: -123.920
flat angles P-C4'-P energy: -81.556
tors. eta vs tors. theta energy: -58.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1034.218757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.218757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.218757 (E_RNA)
where:
Base-Base interactions energy: -578.256
where: short stacking energy: -307.659
Base-Backbone interact. energy: -0.217
local terms energy: -455.745900
where:
bonds (distance) C4'-P energy: -122.124
bonds (distance) P-C4' energy: -123.821
flat angles C4'-P-C4' energy: -106.137
flat angles P-C4'-P energy: -65.588
tors. eta vs tors. theta energy: -38.075
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -787.131520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.131520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.131520 (E_RNA)
where:
Base-Base interactions energy: -414.878
where: short stacking energy: -236.902
Base-Backbone interact. energy: 6.127
local terms energy: -378.380101
where:
bonds (distance) C4'-P energy: -95.048
bonds (distance) P-C4' energy: -104.883
flat angles C4'-P-C4' energy: -99.900
flat angles P-C4'-P energy: -65.835
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -694.114466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.114466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.114466 (E_RNA)
where:
Base-Base interactions energy: -345.486
where: short stacking energy: -187.934
Base-Backbone interact. energy: 4.035
local terms energy: -352.663401
where:
bonds (distance) C4'-P energy: -112.082
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -93.482
flat angles P-C4'-P energy: -57.725
tors. eta vs tors. theta energy: 4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2002.128791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.128791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.128791 (E_RNA)
where:
Base-Base interactions energy: -1344.498
where: short stacking energy: -598.086
Base-Backbone interact. energy: -2.531
local terms energy: -655.099340
where:
bonds (distance) C4'-P energy: -133.988
bonds (distance) P-C4' energy: -140.842
flat angles C4'-P-C4' energy: -133.594
flat angles P-C4'-P energy: -86.960
tors. eta vs tors. theta energy: -159.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1979.534067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.534067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.534067 (E_RNA)
where:
Base-Base interactions energy: -1329.446
where: short stacking energy: -570.988
Base-Backbone interact. energy: -3.371
local terms energy: -646.717083
where:
bonds (distance) C4'-P energy: -124.776
bonds (distance) P-C4' energy: -135.071
flat angles C4'-P-C4' energy: -140.394
flat angles P-C4'-P energy: -104.554
tors. eta vs tors. theta energy: -141.922
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1874.880903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.880903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.880903 (E_RNA)
where:
Base-Base interactions energy: -1255.847
where: short stacking energy: -546.824
Base-Backbone interact. energy: -1.669
local terms energy: -617.365852
where:
bonds (distance) C4'-P energy: -122.388
bonds (distance) P-C4' energy: -125.299
flat angles C4'-P-C4' energy: -133.790
flat angles P-C4'-P energy: -88.151
tors. eta vs tors. theta energy: -147.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1712.899138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.899138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.899138 (E_RNA)
where:
Base-Base interactions energy: -1110.813
where: short stacking energy: -517.330
Base-Backbone interact. energy: -2.696
local terms energy: -599.390266
where:
bonds (distance) C4'-P energy: -108.979
bonds (distance) P-C4' energy: -130.700
flat angles C4'-P-C4' energy: -138.545
flat angles P-C4'-P energy: -83.465
tors. eta vs tors. theta energy: -137.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1702.528226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.528226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.528226 (E_RNA)
where:
Base-Base interactions energy: -1141.343
where: short stacking energy: -555.808
Base-Backbone interact. energy: -0.973
local terms energy: -560.212274
where:
bonds (distance) C4'-P energy: -103.434
bonds (distance) P-C4' energy: -125.374
flat angles C4'-P-C4' energy: -121.451
flat angles P-C4'-P energy: -75.960
tors. eta vs tors. theta energy: -133.994
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: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1368.574162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.574162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.574162 (E_RNA)
where:
Base-Base interactions energy: -867.204
where: short stacking energy: -408.926
Base-Backbone interact. energy: -0.730
local terms energy: -500.640261
where:
bonds (distance) C4'-P energy: -102.337
bonds (distance) P-C4' energy: -133.246
flat angles C4'-P-C4' energy: -124.396
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -79.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1282.843125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.843125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.843125 (E_RNA)
where:
Base-Base interactions energy: -809.391
where: short stacking energy: -360.538
Base-Backbone interact. energy: 4.302
local terms energy: -477.754188
where:
bonds (distance) C4'-P energy: -113.068
bonds (distance) P-C4' energy: -121.146
flat angles C4'-P-C4' energy: -112.326
flat angles P-C4'-P energy: -74.749
tors. eta vs tors. theta energy: -56.464
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: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1029.880939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.880939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.880939 (E_RNA)
where:
Base-Base interactions energy: -578.335
where: short stacking energy: -301.556
Base-Backbone interact. energy: -3.061
local terms energy: -448.485378
where:
bonds (distance) C4'-P energy: -91.879
bonds (distance) P-C4' energy: -121.855
flat angles C4'-P-C4' energy: -106.671
flat angles P-C4'-P energy: -77.403
tors. eta vs tors. theta energy: -50.677
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: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -858.934557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.934557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.934557 (E_RNA)
where:
Base-Base interactions energy: -459.030
where: short stacking energy: -278.037
Base-Backbone interact. energy: 1.174
local terms energy: -401.078113
where:
bonds (distance) C4'-P energy: -99.178
bonds (distance) P-C4' energy: -117.888
flat angles C4'-P-C4' energy: -92.785
flat angles P-C4'-P energy: -62.387
tors. eta vs tors. theta energy: -28.840
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: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -742.750471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.750471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.750471 (E_RNA)
where:
Base-Base interactions energy: -369.418
where: short stacking energy: -218.905
Base-Backbone interact. energy: 3.279
local terms energy: -376.610583
where:
bonds (distance) C4'-P energy: -104.907
bonds (distance) P-C4' energy: -122.226
flat angles C4'-P-C4' energy: -92.524
flat angles P-C4'-P energy: -59.378
tors. eta vs tors. theta energy: 2.425
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: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1997.933853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.933853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.933853 (E_RNA)
where:
Base-Base interactions energy: -1353.198
where: short stacking energy: -620.468
Base-Backbone interact. energy: -0.505
local terms energy: -644.230277
where:
bonds (distance) C4'-P energy: -122.600
bonds (distance) P-C4' energy: -133.821
flat angles C4'-P-C4' energy: -153.855
flat angles P-C4'-P energy: -81.555
tors. eta vs tors. theta energy: -152.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1939.904929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.904929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.904929 (E_RNA)
where:
Base-Base interactions energy: -1289.667
where: short stacking energy: -574.271
Base-Backbone interact. energy: -3.425
local terms energy: -646.813134
where:
bonds (distance) C4'-P energy: -134.035
bonds (distance) P-C4' energy: -140.252
flat angles C4'-P-C4' energy: -141.613
flat angles P-C4'-P energy: -76.697
tors. eta vs tors. theta energy: -154.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1897.847458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.847458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.847458 (E_RNA)
where:
Base-Base interactions energy: -1270.194
where: short stacking energy: -541.582
Base-Backbone interact. energy: -2.789
local terms energy: -624.864502
where:
bonds (distance) C4'-P energy: -119.624
bonds (distance) P-C4' energy: -132.327
flat angles C4'-P-C4' energy: -141.853
flat angles P-C4'-P energy: -81.753
tors. eta vs tors. theta energy: -149.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1752.670336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.670336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.670336 (E_RNA)
where:
Base-Base interactions energy: -1167.015
where: short stacking energy: -526.764
Base-Backbone interact. energy: -3.831
local terms energy: -581.824603
where:
bonds (distance) C4'-P energy: -119.842
bonds (distance) P-C4' energy: -127.614
flat angles C4'-P-C4' energy: -132.395
flat angles P-C4'-P energy: -75.653
tors. eta vs tors. theta energy: -126.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1718.461408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.461408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.461408 (E_RNA)
where:
Base-Base interactions energy: -1113.316
where: short stacking energy: -516.442
Base-Backbone interact. energy: -0.307
local terms energy: -604.838788
where:
bonds (distance) C4'-P energy: -125.830
bonds (distance) P-C4' energy: -124.088
flat angles C4'-P-C4' energy: -129.580
flat angles P-C4'-P energy: -91.709
tors. eta vs tors. theta energy: -133.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1393.232250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.232250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.232250 (E_RNA)
where:
Base-Base interactions energy: -884.567
where: short stacking energy: -407.735
Base-Backbone interact. energy: 6.919
local terms energy: -515.584456
where:
bonds (distance) C4'-P energy: -119.388
bonds (distance) P-C4' energy: -118.849
flat angles C4'-P-C4' energy: -116.926
flat angles P-C4'-P energy: -85.506
tors. eta vs tors. theta energy: -74.917
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: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1345.371195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.371195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.371195 (E_RNA)
where:
Base-Base interactions energy: -864.922
where: short stacking energy: -393.677
Base-Backbone interact. energy: -1.868
local terms energy: -478.581272
where:
bonds (distance) C4'-P energy: -102.527
bonds (distance) P-C4' energy: -124.390
flat angles C4'-P-C4' energy: -118.022
flat angles P-C4'-P energy: -69.151
tors. eta vs tors. theta energy: -64.492
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: 40
Temperature: 1.250000
Total energy: -1070.622491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.622491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.622491 (E_RNA)
where:
Base-Base interactions energy: -619.027
where: short stacking energy: -316.296
Base-Backbone interact. energy: -4.045
local terms energy: -447.550233
where:
bonds (distance) C4'-P energy: -96.700
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -115.632
flat angles P-C4'-P energy: -75.170
tors. eta vs tors. theta energy: -54.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -765.512855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.512855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.512855 (E_RNA)
where:
Base-Base interactions energy: -384.635
where: short stacking energy: -205.176
Base-Backbone interact. energy: -1.913
local terms energy: -378.964645
where:
bonds (distance) C4'-P energy: -116.244
bonds (distance) P-C4' energy: -108.356
flat angles C4'-P-C4' energy: -107.438
flat angles P-C4'-P energy: -40.442
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -708.116631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.116631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.116631 (E_RNA)
where:
Base-Base interactions energy: -345.239
where: short stacking energy: -228.075
Base-Backbone interact. energy: -0.554
local terms energy: -362.323825
where:
bonds (distance) C4'-P energy: -93.229
bonds (distance) P-C4' energy: -105.065
flat angles C4'-P-C4' energy: -109.503
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: 2.183
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: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2031.097828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.097828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.097828 (E_RNA)
where:
Base-Base interactions energy: -1380.637
where: short stacking energy: -627.576
Base-Backbone interact. energy: -3.254
local terms energy: -647.207395
where:
bonds (distance) C4'-P energy: -128.306
bonds (distance) P-C4' energy: -135.615
flat angles C4'-P-C4' energy: -133.264
flat angles P-C4'-P energy: -101.185
tors. eta vs tors. theta energy: -148.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1925.915259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.915259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.915259 (E_RNA)
where:
Base-Base interactions energy: -1268.532
where: short stacking energy: -563.238
Base-Backbone interact. energy: -2.652
local terms energy: -654.730861
where:
bonds (distance) C4'-P energy: -128.087
bonds (distance) P-C4' energy: -141.976
flat angles C4'-P-C4' energy: -130.277
flat angles P-C4'-P energy: -100.840
tors. eta vs tors. theta energy: -153.551
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: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1913.816444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.816444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.816444 (E_RNA)
where:
Base-Base interactions energy: -1302.957
where: short stacking energy: -556.595
Base-Backbone interact. energy: 0.024
local terms energy: -610.883842
where:
bonds (distance) C4'-P energy: -140.856
bonds (distance) P-C4' energy: -121.813
flat angles C4'-P-C4' energy: -139.976
flat angles P-C4'-P energy: -67.759
tors. eta vs tors. theta energy: -140.480
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: 41
Temperature: 1.050000
Total energy: -1779.663020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.663020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.663020 (E_RNA)
where:
Base-Base interactions energy: -1164.668
where: short stacking energy: -542.927
Base-Backbone interact. energy: -2.679
local terms energy: -612.316119
where:
bonds (distance) C4'-P energy: -117.676
bonds (distance) P-C4' energy: -125.815
flat angles C4'-P-C4' energy: -132.684
flat angles P-C4'-P energy: -86.680
tors. eta vs tors. theta energy: -149.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1648.619208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.619208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.619208 (E_RNA)
where:
Base-Base interactions energy: -1075.239
where: short stacking energy: -504.805
Base-Backbone interact. energy: 2.026
local terms energy: -575.406796
where:
bonds (distance) C4'-P energy: -117.036
bonds (distance) P-C4' energy: -123.737
flat angles C4'-P-C4' energy: -128.628
flat angles P-C4'-P energy: -84.482
tors. eta vs tors. theta energy: -121.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1412.895509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.895509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.895509 (E_RNA)
where:
Base-Base interactions energy: -878.473
where: short stacking energy: -418.606
Base-Backbone interact. energy: -3.332
local terms energy: -531.090344
where:
bonds (distance) C4'-P energy: -115.929
bonds (distance) P-C4' energy: -124.479
flat angles C4'-P-C4' energy: -138.088
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -85.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1364.248017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.248017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.248017 (E_RNA)
where:
Base-Base interactions energy: -898.165
where: short stacking energy: -402.521
Base-Backbone interact. energy: -1.415
local terms energy: -464.667744
where:
bonds (distance) C4'-P energy: -98.389
bonds (distance) P-C4' energy: -93.323
flat angles C4'-P-C4' energy: -122.244
flat angles P-C4'-P energy: -72.198
tors. eta vs tors. theta energy: -78.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1051.010921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.010921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.010921 (E_RNA)
where:
Base-Base interactions energy: -586.847
where: short stacking energy: -303.646
Base-Backbone interact. energy: -1.051
local terms energy: -463.113260
where:
bonds (distance) C4'-P energy: -112.664
bonds (distance) P-C4' energy: -124.649
flat angles C4'-P-C4' energy: -108.635
flat angles P-C4'-P energy: -72.868
tors. eta vs tors. theta energy: -44.298
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: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -826.133255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.133255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.133255 (E_RNA)
where:
Base-Base interactions energy: -426.484
where: short stacking energy: -252.819
Base-Backbone interact. energy: 4.137
local terms energy: -403.786110
where:
bonds (distance) C4'-P energy: -71.194
bonds (distance) P-C4' energy: -126.343
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -64.784
tors. eta vs tors. theta energy: -28.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -711.027464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.027464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.027464 (E_RNA)
where:
Base-Base interactions energy: -356.925
where: short stacking energy: -223.379
Base-Backbone interact. energy: 0.285
local terms energy: -354.387279
where:
bonds (distance) C4'-P energy: -84.815
bonds (distance) P-C4' energy: -107.182
flat angles C4'-P-C4' energy: -103.987
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -12.038
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: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2018.728546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.728546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.728546 (E_RNA)
where:
Base-Base interactions energy: -1361.716
where: short stacking energy: -599.789
Base-Backbone interact. energy: -4.795
local terms energy: -652.216861
where:
bonds (distance) C4'-P energy: -129.176
bonds (distance) P-C4' energy: -128.859
flat angles C4'-P-C4' energy: -150.999
flat angles P-C4'-P energy: -98.543
tors. eta vs tors. theta energy: -144.641
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: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1942.423607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.423607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.423607 (E_RNA)
where:
Base-Base interactions energy: -1327.869
where: short stacking energy: -567.694
Base-Backbone interact. energy: -1.372
local terms energy: -613.182608
where:
bonds (distance) C4'-P energy: -125.118
bonds (distance) P-C4' energy: -115.513
flat angles C4'-P-C4' energy: -144.919
flat angles P-C4'-P energy: -83.948
tors. eta vs tors. theta energy: -143.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1892.995856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.995856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.995856 (E_RNA)
where:
Base-Base interactions energy: -1275.119
where: short stacking energy: -534.262
Base-Backbone interact. energy: -1.998
local terms energy: -615.877949
where:
bonds (distance) C4'-P energy: -114.560
bonds (distance) P-C4' energy: -134.349
flat angles C4'-P-C4' energy: -134.818
flat angles P-C4'-P energy: -87.860
tors. eta vs tors. theta energy: -144.290
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1773.396746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.396746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.396746 (E_RNA)
where:
Base-Base interactions energy: -1153.106
where: short stacking energy: -531.050
Base-Backbone interact. energy: -4.378
local terms energy: -615.912342
where:
bonds (distance) C4'-P energy: -123.066
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -146.712
flat angles P-C4'-P energy: -68.988
tors. eta vs tors. theta energy: -147.492
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: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1685.637217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.637217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.637217 (E_RNA)
where:
Base-Base interactions energy: -1114.665
where: short stacking energy: -489.088
Base-Backbone interact. energy: -0.817
local terms energy: -570.155699
where:
bonds (distance) C4'-P energy: -107.807
bonds (distance) P-C4' energy: -131.770
flat angles C4'-P-C4' energy: -125.241
flat angles P-C4'-P energy: -84.456
tors. eta vs tors. theta energy: -120.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1464.835220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.835220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.835220 (E_RNA)
where:
Base-Base interactions energy: -949.402
where: short stacking energy: -418.374
Base-Backbone interact. energy: -1.556
local terms energy: -513.877268
where:
bonds (distance) C4'-P energy: -114.066
bonds (distance) P-C4' energy: -103.919
flat angles C4'-P-C4' energy: -118.772
flat angles P-C4'-P energy: -74.476
tors. eta vs tors. theta energy: -102.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1331.063891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.063891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.063891 (E_RNA)
where:
Base-Base interactions energy: -847.176
where: short stacking energy: -371.881
Base-Backbone interact. energy: -3.108
local terms energy: -480.780063
where:
bonds (distance) C4'-P energy: -82.273
bonds (distance) P-C4' energy: -125.287
flat angles C4'-P-C4' energy: -126.166
flat angles P-C4'-P energy: -74.049
tors. eta vs tors. theta energy: -73.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1044.060460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.060460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.060460 (E_RNA)
where:
Base-Base interactions energy: -621.618
where: short stacking energy: -325.241
Base-Backbone interact. energy: -1.888
local terms energy: -420.554505
where:
bonds (distance) C4'-P energy: -97.436
bonds (distance) P-C4' energy: -110.003
flat angles C4'-P-C4' energy: -103.358
flat angles P-C4'-P energy: -63.678
tors. eta vs tors. theta energy: -46.079
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: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -818.150088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.150088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.150088 (E_RNA)
where:
Base-Base interactions energy: -436.963
where: short stacking energy: -256.920
Base-Backbone interact. energy: -3.268
local terms energy: -377.919485
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -102.117
flat angles C4'-P-C4' energy: -101.392
flat angles P-C4'-P energy: -54.211
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -706.870617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.870617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.870617 (E_RNA)
where:
Base-Base interactions energy: -346.211
where: short stacking energy: -219.213
Base-Backbone interact. energy: 2.385
local terms energy: -363.044681
where:
bonds (distance) C4'-P energy: -108.485
bonds (distance) P-C4' energy: -97.068
flat angles C4'-P-C4' energy: -92.864
flat angles P-C4'-P energy: -50.222
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2021.444091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.444091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.444091 (E_RNA)
where:
Base-Base interactions energy: -1387.367
where: short stacking energy: -610.141
Base-Backbone interact. energy: -3.222
local terms energy: -630.855299
where:
bonds (distance) C4'-P energy: -119.476
bonds (distance) P-C4' energy: -125.237
flat angles C4'-P-C4' energy: -148.056
flat angles P-C4'-P energy: -92.509
tors. eta vs tors. theta energy: -145.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1973.722211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.722211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.722211 (E_RNA)
where:
Base-Base interactions energy: -1321.683
where: short stacking energy: -565.992
Base-Backbone interact. energy: -3.388
local terms energy: -648.651341
where:
bonds (distance) C4'-P energy: -140.863
bonds (distance) P-C4' energy: -125.042
flat angles C4'-P-C4' energy: -141.165
flat angles P-C4'-P energy: -95.635
tors. eta vs tors. theta energy: -145.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1896.497940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.497940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.497940 (E_RNA)
where:
Base-Base interactions energy: -1262.334
where: short stacking energy: -548.302
Base-Backbone interact. energy: -2.362
local terms energy: -631.801783
where:
bonds (distance) C4'-P energy: -132.651
bonds (distance) P-C4' energy: -139.309
flat angles C4'-P-C4' energy: -133.721
flat angles P-C4'-P energy: -84.659
tors. eta vs tors. theta energy: -141.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1700.859186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.859186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.859186 (E_RNA)
where:
Base-Base interactions energy: -1094.849
where: short stacking energy: -494.841
Base-Backbone interact. energy: -3.259
local terms energy: -602.750802
where:
bonds (distance) C4'-P energy: -119.887
bonds (distance) P-C4' energy: -137.760
flat angles C4'-P-C4' energy: -126.630
flat angles P-C4'-P energy: -86.753
tors. eta vs tors. theta energy: -131.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1713.806716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.806716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.806716 (E_RNA)
where:
Base-Base interactions energy: -1137.318
where: short stacking energy: -488.533
Base-Backbone interact. energy: -0.760
local terms energy: -575.728306
where:
bonds (distance) C4'-P energy: -106.231
bonds (distance) P-C4' energy: -127.939
flat angles C4'-P-C4' energy: -146.663
flat angles P-C4'-P energy: -89.116
tors. eta vs tors. theta energy: -105.778
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: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1410.863269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.863269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.863269 (E_RNA)
where:
Base-Base interactions energy: -909.221
where: short stacking energy: -394.477
Base-Backbone interact. energy: -2.311
local terms energy: -499.330948
where:
bonds (distance) C4'-P energy: -126.041
bonds (distance) P-C4' energy: -110.916
flat angles C4'-P-C4' energy: -113.822
flat angles P-C4'-P energy: -72.789
tors. eta vs tors. theta energy: -75.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1346.150713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.150713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.150713 (E_RNA)
where:
Base-Base interactions energy: -858.362
where: short stacking energy: -384.067
Base-Backbone interact. energy: -4.557
local terms energy: -483.231452
where:
bonds (distance) C4'-P energy: -103.795
bonds (distance) P-C4' energy: -108.241
flat angles C4'-P-C4' energy: -104.408
flat angles P-C4'-P energy: -79.546
tors. eta vs tors. theta energy: -87.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -989.002586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.002586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.002586 (E_RNA)
where:
Base-Base interactions energy: -567.573
where: short stacking energy: -290.547
Base-Backbone interact. energy: -2.578
local terms energy: -418.851497
where:
bonds (distance) C4'-P energy: -99.767
bonds (distance) P-C4' energy: -103.068
flat angles C4'-P-C4' energy: -120.345
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: -34.705
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: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -815.864149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.864149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.864149 (E_RNA)
where:
Base-Base interactions energy: -435.054
where: short stacking energy: -237.776
Base-Backbone interact. energy: -1.940
local terms energy: -378.870237
where:
bonds (distance) C4'-P energy: -113.261
bonds (distance) P-C4' energy: -101.500
flat angles C4'-P-C4' energy: -93.434
flat angles P-C4'-P energy: -49.568
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -658.011663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.011663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.011663 (E_RNA)
where:
Base-Base interactions energy: -316.335
where: short stacking energy: -191.365
Base-Backbone interact. energy: 4.106
local terms energy: -345.781979
where:
bonds (distance) C4'-P energy: -70.952
bonds (distance) P-C4' energy: -113.807
flat angles C4'-P-C4' energy: -84.832
flat angles P-C4'-P energy: -62.353
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2016.804482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.804482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.804482 (E_RNA)
where:
Base-Base interactions energy: -1346.121
where: short stacking energy: -610.893
Base-Backbone interact. energy: -1.294
local terms energy: -669.388919
where:
bonds (distance) C4'-P energy: -134.009
bonds (distance) P-C4' energy: -143.989
flat angles C4'-P-C4' energy: -147.718
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -152.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1959.283526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.283526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.283526 (E_RNA)
where:
Base-Base interactions energy: -1320.290
where: short stacking energy: -571.593
Base-Backbone interact. energy: -3.390
local terms energy: -635.603741
where:
bonds (distance) C4'-P energy: -115.721
bonds (distance) P-C4' energy: -134.406
flat angles C4'-P-C4' energy: -141.397
flat angles P-C4'-P energy: -91.594
tors. eta vs tors. theta energy: -152.486
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1908.048116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.048116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.048116 (E_RNA)
where:
Base-Base interactions energy: -1302.667
where: short stacking energy: -533.637
Base-Backbone interact. energy: 1.390
local terms energy: -606.771259
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -123.953
flat angles C4'-P-C4' energy: -130.495
flat angles P-C4'-P energy: -80.582
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: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1742.384852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.384852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.384852 (E_RNA)
where:
Base-Base interactions energy: -1135.743
where: short stacking energy: -524.863
Base-Backbone interact. energy: -1.910
local terms energy: -604.730998
where:
bonds (distance) C4'-P energy: -122.553
bonds (distance) P-C4' energy: -122.665
flat angles C4'-P-C4' energy: -138.153
flat angles P-C4'-P energy: -91.836
tors. eta vs tors. theta energy: -129.525
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: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1760.307477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.307477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.307477 (E_RNA)
where:
Base-Base interactions energy: -1171.583
where: short stacking energy: -523.315
Base-Backbone interact. energy: -3.628
local terms energy: -585.096596
where:
bonds (distance) C4'-P energy: -125.773
bonds (distance) P-C4' energy: -125.659
flat angles C4'-P-C4' energy: -136.893
flat angles P-C4'-P energy: -67.871
tors. eta vs tors. theta energy: -128.900
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1398.927445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.927445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.927445 (E_RNA)
where:
Base-Base interactions energy: -849.921
where: short stacking energy: -423.014
Base-Backbone interact. energy: 6.785
local terms energy: -555.791110
where:
bonds (distance) C4'-P energy: -131.511
bonds (distance) P-C4' energy: -119.324
flat angles C4'-P-C4' energy: -122.699
flat angles P-C4'-P energy: -80.863
tors. eta vs tors. theta energy: -101.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1274.308193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.308193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.308193 (E_RNA)
where:
Base-Base interactions energy: -807.038
where: short stacking energy: -377.532
Base-Backbone interact. energy: -0.799
local terms energy: -466.471165
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -113.822
flat angles C4'-P-C4' energy: -112.676
flat angles P-C4'-P energy: -83.322
tors. eta vs tors. theta energy: -65.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -988.773887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.773887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.773887 (E_RNA)
where:
Base-Base interactions energy: -591.114
where: short stacking energy: -303.738
Base-Backbone interact. energy: -1.222
local terms energy: -396.438065
where:
bonds (distance) C4'-P energy: -103.328
bonds (distance) P-C4' energy: -107.947
flat angles C4'-P-C4' energy: -99.123
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: -35.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -763.072166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.072166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.072166 (E_RNA)
where:
Base-Base interactions energy: -389.899
where: short stacking energy: -258.041
Base-Backbone interact. energy: 1.186
local terms energy: -374.359741
where:
bonds (distance) C4'-P energy: -92.254
bonds (distance) P-C4' energy: -97.587
flat angles C4'-P-C4' energy: -102.590
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -645.120217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.120217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.120217 (E_RNA)
where:
Base-Base interactions energy: -288.301
where: short stacking energy: -179.021
Base-Backbone interact. energy: 4.501
local terms energy: -361.319978
where:
bonds (distance) C4'-P energy: -101.214
bonds (distance) P-C4' energy: -106.482
flat angles C4'-P-C4' energy: -91.270
flat angles P-C4'-P energy: -74.708
tors. eta vs tors. theta energy: 12.354
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: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1996.979500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.979500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.979500 (E_RNA)
where:
Base-Base interactions energy: -1344.990
where: short stacking energy: -602.067
Base-Backbone interact. energy: -3.816
local terms energy: -648.173329
where:
bonds (distance) C4'-P energy: -135.850
bonds (distance) P-C4' energy: -136.289
flat angles C4'-P-C4' energy: -137.156
flat angles P-C4'-P energy: -95.322
tors. eta vs tors. theta energy: -143.557
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2003.261745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.261745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.261745 (E_RNA)
where:
Base-Base interactions energy: -1350.835
where: short stacking energy: -592.780
Base-Backbone interact. energy: -4.745
local terms energy: -647.681821
where:
bonds (distance) C4'-P energy: -129.229
bonds (distance) P-C4' energy: -123.110
flat angles C4'-P-C4' energy: -145.243
flat angles P-C4'-P energy: -97.475
tors. eta vs tors. theta energy: -152.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1946.700338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.700338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.700338 (E_RNA)
where:
Base-Base interactions energy: -1357.807
where: short stacking energy: -553.808
Base-Backbone interact. energy: -2.105
local terms energy: -586.788946
where:
bonds (distance) C4'-P energy: -105.905
bonds (distance) P-C4' energy: -119.250
flat angles C4'-P-C4' energy: -136.064
flat angles P-C4'-P energy: -90.280
tors. eta vs tors. theta energy: -135.290
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: 45
Temperature: 1.050000
Total energy: -1881.567285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.567285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.567285 (E_RNA)
where:
Base-Base interactions energy: -1252.400
where: short stacking energy: -542.021
Base-Backbone interact. energy: -4.506
local terms energy: -624.661592
where:
bonds (distance) C4'-P energy: -123.227
bonds (distance) P-C4' energy: -125.606
flat angles C4'-P-C4' energy: -129.458
flat angles P-C4'-P energy: -89.626
tors. eta vs tors. theta energy: -156.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1725.631609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.631609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.631609 (E_RNA)
where:
Base-Base interactions energy: -1134.827
where: short stacking energy: -525.248
Base-Backbone interact. energy: -1.235
local terms energy: -589.570212
where:
bonds (distance) C4'-P energy: -101.186
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -133.972
flat angles P-C4'-P energy: -90.357
tors. eta vs tors. theta energy: -146.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1401.696841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.696841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.696841 (E_RNA)
where:
Base-Base interactions energy: -880.587
where: short stacking energy: -426.269
Base-Backbone interact. energy: -1.034
local terms energy: -520.075639
where:
bonds (distance) C4'-P energy: -100.470
bonds (distance) P-C4' energy: -127.903
flat angles C4'-P-C4' energy: -118.325
flat angles P-C4'-P energy: -77.265
tors. eta vs tors. theta energy: -96.113
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: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1328.335977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.335977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.335977 (E_RNA)
where:
Base-Base interactions energy: -834.720
where: short stacking energy: -386.389
Base-Backbone interact. energy: 0.114
local terms energy: -493.729996
where:
bonds (distance) C4'-P energy: -110.998
bonds (distance) P-C4' energy: -121.315
flat angles C4'-P-C4' energy: -113.275
flat angles P-C4'-P energy: -70.541
tors. eta vs tors. theta energy: -77.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1092.078996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.078996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.078996 (E_RNA)
where:
Base-Base interactions energy: -674.386
where: short stacking energy: -324.596
Base-Backbone interact. energy: -0.690
local terms energy: -417.003148
where:
bonds (distance) C4'-P energy: -101.743
bonds (distance) P-C4' energy: -104.026
flat angles C4'-P-C4' energy: -107.990
flat angles P-C4'-P energy: -61.420
tors. eta vs tors. theta energy: -41.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -692.331875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.331875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.331875 (E_RNA)
where:
Base-Base interactions energy: -337.249
where: short stacking energy: -222.134
Base-Backbone interact. energy: 0.368
local terms energy: -355.450850
where:
bonds (distance) C4'-P energy: -113.084
bonds (distance) P-C4' energy: -102.513
flat angles C4'-P-C4' energy: -75.403
flat angles P-C4'-P energy: -56.769
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -672.857351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.857351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.857351 (E_RNA)
where:
Base-Base interactions energy: -314.162
where: short stacking energy: -174.429
Base-Backbone interact. energy: -1.019
local terms energy: -357.676464
where:
bonds (distance) C4'-P energy: -107.844
bonds (distance) P-C4' energy: -101.266
flat angles C4'-P-C4' energy: -113.944
flat angles P-C4'-P energy: -50.596
tors. eta vs tors. theta energy: 15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2022.480900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.480900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.480900 (E_RNA)
where:
Base-Base interactions energy: -1367.463
where: short stacking energy: -595.210
Base-Backbone interact. energy: -5.023
local terms energy: -649.994708
where:
bonds (distance) C4'-P energy: -132.774
bonds (distance) P-C4' energy: -137.115
flat angles C4'-P-C4' energy: -134.684
flat angles P-C4'-P energy: -96.702
tors. eta vs tors. theta energy: -148.720
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1982.842413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.842413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.842413 (E_RNA)
where:
Base-Base interactions energy: -1340.145
where: short stacking energy: -577.743
Base-Backbone interact. energy: -1.359
local terms energy: -641.338399
where:
bonds (distance) C4'-P energy: -123.917
bonds (distance) P-C4' energy: -128.093
flat angles C4'-P-C4' energy: -142.911
flat angles P-C4'-P energy: -98.645
tors. eta vs tors. theta energy: -147.773
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: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1948.957530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.957530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.957530 (E_RNA)
where:
Base-Base interactions energy: -1347.647
where: short stacking energy: -567.589
Base-Backbone interact. energy: -3.186
local terms energy: -598.124698
where:
bonds (distance) C4'-P energy: -105.253
bonds (distance) P-C4' energy: -132.235
flat angles C4'-P-C4' energy: -134.139
flat angles P-C4'-P energy: -93.736
tors. eta vs tors. theta energy: -132.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1929.283147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.283147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.283147 (E_RNA)
where:
Base-Base interactions energy: -1330.721
where: short stacking energy: -570.517
Base-Backbone interact. energy: -1.292
local terms energy: -597.270636
where:
bonds (distance) C4'-P energy: -95.233
bonds (distance) P-C4' energy: -116.008
flat angles C4'-P-C4' energy: -144.685
flat angles P-C4'-P energy: -79.685
tors. eta vs tors. theta energy: -161.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1706.982974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.982974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.982974 (E_RNA)
where:
Base-Base interactions energy: -1089.230
where: short stacking energy: -495.104
Base-Backbone interact. energy: -1.934
local terms energy: -615.818743
where:
bonds (distance) C4'-P energy: -120.759
bonds (distance) P-C4' energy: -119.072
flat angles C4'-P-C4' energy: -142.343
flat angles P-C4'-P energy: -92.213
tors. eta vs tors. theta energy: -141.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1450.755620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.755620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.755620 (E_RNA)
where:
Base-Base interactions energy: -944.652
where: short stacking energy: -407.505
Base-Backbone interact. energy: -1.004
local terms energy: -505.099667
where:
bonds (distance) C4'-P energy: -115.808
bonds (distance) P-C4' energy: -112.750
flat angles C4'-P-C4' energy: -120.890
flat angles P-C4'-P energy: -70.493
tors. eta vs tors. theta energy: -85.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1313.105792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.105792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.105792 (E_RNA)
where:
Base-Base interactions energy: -831.418
where: short stacking energy: -369.130
Base-Backbone interact. energy: -2.884
local terms energy: -478.803779
where:
bonds (distance) C4'-P energy: -102.047
bonds (distance) P-C4' energy: -113.708
flat angles C4'-P-C4' energy: -110.317
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: -76.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1066.603408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.603408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.603408 (E_RNA)
where:
Base-Base interactions energy: -623.892
where: short stacking energy: -327.602
Base-Backbone interact. energy: -3.370
local terms energy: -439.341742
where:
bonds (distance) C4'-P energy: -111.379
bonds (distance) P-C4' energy: -119.426
flat angles C4'-P-C4' energy: -110.397
flat angles P-C4'-P energy: -58.355
tors. eta vs tors. theta energy: -39.784
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: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -660.256047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.256047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.256047 (E_RNA)
where:
Base-Base interactions energy: -284.118
where: short stacking energy: -200.825
Base-Backbone interact. energy: -1.617
local terms energy: -374.520294
where:
bonds (distance) C4'-P energy: -128.232
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -105.226
flat angles P-C4'-P energy: -44.160
tors. eta vs tors. theta energy: -0.209
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: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -714.266784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.266784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.266784 (E_RNA)
where:
Base-Base interactions energy: -357.759
where: short stacking energy: -189.295
Base-Backbone interact. energy: 2.952
local terms energy: -359.460010
where:
bonds (distance) C4'-P energy: -118.924
bonds (distance) P-C4' energy: -111.930
flat angles C4'-P-C4' energy: -85.811
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2036.394392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.394392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.394392 (E_RNA)
where:
Base-Base interactions energy: -1380.390
where: short stacking energy: -608.703
Base-Backbone interact. energy: 0.432
local terms energy: -656.437065
where:
bonds (distance) C4'-P energy: -133.354
bonds (distance) P-C4' energy: -132.146
flat angles C4'-P-C4' energy: -136.763
flat angles P-C4'-P energy: -102.367
tors. eta vs tors. theta energy: -151.807
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1953.495158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.495158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.495158 (E_RNA)
where:
Base-Base interactions energy: -1318.822
where: short stacking energy: -548.191
Base-Backbone interact. energy: -3.740
local terms energy: -630.932578
where:
bonds (distance) C4'-P energy: -127.120
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -139.828
flat angles P-C4'-P energy: -102.639
tors. eta vs tors. theta energy: -138.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1938.451755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.451755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.451755 (E_RNA)
where:
Base-Base interactions energy: -1312.674
where: short stacking energy: -560.408
Base-Backbone interact. energy: -0.140
local terms energy: -625.637461
where:
bonds (distance) C4'-P energy: -139.894
bonds (distance) P-C4' energy: -133.347
flat angles C4'-P-C4' energy: -122.208
flat angles P-C4'-P energy: -91.529
tors. eta vs tors. theta energy: -138.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1890.398429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.398429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.398429 (E_RNA)
where:
Base-Base interactions energy: -1253.638
where: short stacking energy: -539.853
Base-Backbone interact. energy: -1.799
local terms energy: -634.961509
where:
bonds (distance) C4'-P energy: -113.756
bonds (distance) P-C4' energy: -129.287
flat angles C4'-P-C4' energy: -138.901
flat angles P-C4'-P energy: -85.505
tors. eta vs tors. theta energy: -167.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1746.193125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.193125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.193125 (E_RNA)
where:
Base-Base interactions energy: -1152.359
where: short stacking energy: -523.723
Base-Backbone interact. energy: 1.735
local terms energy: -595.568709
where:
bonds (distance) C4'-P energy: -112.771
bonds (distance) P-C4' energy: -122.682
flat angles C4'-P-C4' energy: -120.376
flat angles P-C4'-P energy: -94.480
tors. eta vs tors. theta energy: -145.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1577.261305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.261305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.261305 (E_RNA)
where:
Base-Base interactions energy: -1029.007
where: short stacking energy: -453.019
Base-Backbone interact. energy: -3.011
local terms energy: -545.243190
where:
bonds (distance) C4'-P energy: -101.675
bonds (distance) P-C4' energy: -126.116
flat angles C4'-P-C4' energy: -124.947
flat angles P-C4'-P energy: -76.250
tors. eta vs tors. theta energy: -116.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1400.898935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.898935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.898935 (E_RNA)
where:
Base-Base interactions energy: -908.997
where: short stacking energy: -424.762
Base-Backbone interact. energy: -4.679
local terms energy: -487.222825
where:
bonds (distance) C4'-P energy: -125.111
bonds (distance) P-C4' energy: -114.289
flat angles C4'-P-C4' energy: -99.173
flat angles P-C4'-P energy: -63.923
tors. eta vs tors. theta energy: -84.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -960.789363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.789363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.789363 (E_RNA)
where:
Base-Base interactions energy: -540.974
where: short stacking energy: -278.137
Base-Backbone interact. energy: -1.827
local terms energy: -417.988786
where:
bonds (distance) C4'-P energy: -101.977
bonds (distance) P-C4' energy: -110.282
flat angles C4'-P-C4' energy: -99.925
flat angles P-C4'-P energy: -70.234
tors. eta vs tors. theta energy: -35.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -685.419645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.419645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.419645 (E_RNA)
where:
Base-Base interactions energy: -295.318
where: short stacking energy: -216.888
Base-Backbone interact. energy: -0.453
local terms energy: -389.648273
where:
bonds (distance) C4'-P energy: -109.129
bonds (distance) P-C4' energy: -109.505
flat angles C4'-P-C4' energy: -98.015
flat angles P-C4'-P energy: -63.952
tors. eta vs tors. theta energy: -9.046
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -716.786808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.786808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.786808 (E_RNA)
where:
Base-Base interactions energy: -351.457
where: short stacking energy: -206.644
Base-Backbone interact. energy: -1.349
local terms energy: -363.980781
where:
bonds (distance) C4'-P energy: -108.253
bonds (distance) P-C4' energy: -106.246
flat angles C4'-P-C4' energy: -85.698
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -2.241
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: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2051.930598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.930598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.930598 (E_RNA)
where:
Base-Base interactions energy: -1384.052
where: short stacking energy: -626.053
Base-Backbone interact. energy: -2.434
local terms energy: -665.444486
where:
bonds (distance) C4'-P energy: -133.533
bonds (distance) P-C4' energy: -142.912
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -89.097
tors. eta vs tors. theta energy: -156.274
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: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1956.951138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.951138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.951138 (E_RNA)
where:
Base-Base interactions energy: -1322.875
where: short stacking energy: -561.961
Base-Backbone interact. energy: -0.521
local terms energy: -633.554546
where:
bonds (distance) C4'-P energy: -112.186
bonds (distance) P-C4' energy: -135.654
flat angles C4'-P-C4' energy: -137.096
flat angles P-C4'-P energy: -107.060
tors. eta vs tors. theta energy: -141.559
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: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1969.960511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.960511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.960511 (E_RNA)
where:
Base-Base interactions energy: -1347.665
where: short stacking energy: -583.434
Base-Backbone interact. energy: -2.291
local terms energy: -620.003731
where:
bonds (distance) C4'-P energy: -113.945
bonds (distance) P-C4' energy: -127.703
flat angles C4'-P-C4' energy: -144.858
flat angles P-C4'-P energy: -84.478
tors. eta vs tors. theta energy: -149.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1845.404953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.404953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.404953 (E_RNA)
where:
Base-Base interactions energy: -1256.254
where: short stacking energy: -548.028
Base-Backbone interact. energy: -1.719
local terms energy: -587.431192
where:
bonds (distance) C4'-P energy: -108.605
bonds (distance) P-C4' energy: -118.524
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -88.066
tors. eta vs tors. theta energy: -136.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1716.224537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.224537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.224537 (E_RNA)
where:
Base-Base interactions energy: -1126.449
where: short stacking energy: -500.918
Base-Backbone interact. energy: -0.829
local terms energy: -588.947105
where:
bonds (distance) C4'-P energy: -117.574
bonds (distance) P-C4' energy: -137.571
flat angles C4'-P-C4' energy: -134.680
flat angles P-C4'-P energy: -66.157
tors. eta vs tors. theta energy: -132.966
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: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1556.173291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.173291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.173291 (E_RNA)
where:
Base-Base interactions energy: -1009.286
where: short stacking energy: -456.685
Base-Backbone interact. energy: -0.285
local terms energy: -546.602470
where:
bonds (distance) C4'-P energy: -106.492
bonds (distance) P-C4' energy: -124.309
flat angles C4'-P-C4' energy: -131.789
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -118.656
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: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1422.082062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.082062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.082062 (E_RNA)
where:
Base-Base interactions energy: -904.897
where: short stacking energy: -385.583
Base-Backbone interact. energy: -0.122
local terms energy: -517.062899
where:
bonds (distance) C4'-P energy: -117.157
bonds (distance) P-C4' energy: -102.458
flat angles C4'-P-C4' energy: -118.249
flat angles P-C4'-P energy: -83.047
tors. eta vs tors. theta energy: -96.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1040.804907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.804907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.804907 (E_RNA)
where:
Base-Base interactions energy: -613.793
where: short stacking energy: -305.067
Base-Backbone interact. energy: 5.952
local terms energy: -432.963150
where:
bonds (distance) C4'-P energy: -102.118
bonds (distance) P-C4' energy: -107.941
flat angles C4'-P-C4' energy: -110.288
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -55.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -665.694926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.694926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.694926 (E_RNA)
where:
Base-Base interactions energy: -291.439
where: short stacking energy: -214.306
Base-Backbone interact. energy: 2.955
local terms energy: -377.210673
where:
bonds (distance) C4'-P energy: -105.050
bonds (distance) P-C4' energy: -124.544
flat angles C4'-P-C4' energy: -83.386
flat angles P-C4'-P energy: -61.119
tors. eta vs tors. theta energy: -3.112
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: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -663.618395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.618395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.618395 (E_RNA)
where:
Base-Base interactions energy: -319.867
where: short stacking energy: -196.330
Base-Backbone interact. energy: 3.096
local terms energy: -346.847947
where:
bonds (distance) C4'-P energy: -92.325
bonds (distance) P-C4' energy: -131.408
flat angles C4'-P-C4' energy: -78.425
flat angles P-C4'-P energy: -53.374
tors. eta vs tors. theta energy: 8.684
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: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2057.180458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.180458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.180458 (E_RNA)
where:
Base-Base interactions energy: -1371.668
where: short stacking energy: -627.604
Base-Backbone interact. energy: -2.679
local terms energy: -682.832948
where:
bonds (distance) C4'-P energy: -145.457
bonds (distance) P-C4' energy: -138.430
flat angles C4'-P-C4' energy: -140.141
flat angles P-C4'-P energy: -93.748
tors. eta vs tors. theta energy: -165.057
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: 49
Temperature: 0.950000
Total energy: -2005.188555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.188555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.188555 (E_RNA)
where:
Base-Base interactions energy: -1385.221
where: short stacking energy: -580.832
Base-Backbone interact. energy: -2.496
local terms energy: -617.471262
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -125.743
flat angles C4'-P-C4' energy: -145.991
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -152.655
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: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1907.956670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.956670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.956670 (E_RNA)
where:
Base-Base interactions energy: -1283.054
where: short stacking energy: -548.666
Base-Backbone interact. energy: -0.215
local terms energy: -624.687025
where:
bonds (distance) C4'-P energy: -108.859
bonds (distance) P-C4' energy: -148.152
flat angles C4'-P-C4' energy: -138.301
flat angles P-C4'-P energy: -92.457
tors. eta vs tors. theta energy: -136.918
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: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1909.501579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.501579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.501579 (E_RNA)
where:
Base-Base interactions energy: -1298.905
where: short stacking energy: -597.208
Base-Backbone interact. energy: -1.798
local terms energy: -608.797735
where:
bonds (distance) C4'-P energy: -111.869
bonds (distance) P-C4' energy: -116.557
flat angles C4'-P-C4' energy: -137.220
flat angles P-C4'-P energy: -89.030
tors. eta vs tors. theta energy: -154.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1684.487935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.487935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.487935 (E_RNA)
where:
Base-Base interactions energy: -1126.863
where: short stacking energy: -500.615
Base-Backbone interact. energy: -2.448
local terms energy: -555.177069
where:
bonds (distance) C4'-P energy: -116.978
bonds (distance) P-C4' energy: -120.243
flat angles C4'-P-C4' energy: -106.933
flat angles P-C4'-P energy: -84.612
tors. eta vs tors. theta energy: -126.412
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1526.356928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.356928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.356928 (E_RNA)
where:
Base-Base interactions energy: -984.719
where: short stacking energy: -447.760
Base-Backbone interact. energy: -1.729
local terms energy: -539.909311
where:
bonds (distance) C4'-P energy: -124.086
bonds (distance) P-C4' energy: -91.988
flat angles C4'-P-C4' energy: -133.325
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -120.773
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: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1394.083962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.083962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.083962 (E_RNA)
where:
Base-Base interactions energy: -923.794
where: short stacking energy: -427.784
Base-Backbone interact. energy: 0.161
local terms energy: -470.451170
where:
bonds (distance) C4'-P energy: -93.058
bonds (distance) P-C4' energy: -120.433
flat angles C4'-P-C4' energy: -112.451
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: -75.063
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: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1034.137010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.137010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.137010 (E_RNA)
where:
Base-Base interactions energy: -575.867
where: short stacking energy: -286.582
Base-Backbone interact. energy: -2.750
local terms energy: -455.519725
where:
bonds (distance) C4'-P energy: -102.859
bonds (distance) P-C4' energy: -103.621
flat angles C4'-P-C4' energy: -116.521
flat angles P-C4'-P energy: -70.151
tors. eta vs tors. theta energy: -62.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -674.185003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.185003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.185003 (E_RNA)
where:
Base-Base interactions energy: -325.884
where: short stacking energy: -218.738
Base-Backbone interact. energy: -3.516
local terms energy: -344.784856
where:
bonds (distance) C4'-P energy: -95.695
bonds (distance) P-C4' energy: -95.166
flat angles C4'-P-C4' energy: -114.995
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: 10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -678.117193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.117193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.117193 (E_RNA)
where:
Base-Base interactions energy: -326.556
where: short stacking energy: -191.085
Base-Backbone interact. energy: 1.633
local terms energy: -353.194180
where:
bonds (distance) C4'-P energy: -98.306
bonds (distance) P-C4' energy: -110.191
flat angles C4'-P-C4' energy: -94.927
flat angles P-C4'-P energy: -51.020
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2110.556124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.556124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.556124 (E_RNA)
where:
Base-Base interactions energy: -1443.719
where: short stacking energy: -607.153
Base-Backbone interact. energy: -2.309
local terms energy: -664.528473
where:
bonds (distance) C4'-P energy: -136.834
bonds (distance) P-C4' energy: -130.511
flat angles C4'-P-C4' energy: -140.049
flat angles P-C4'-P energy: -97.076
tors. eta vs tors. theta energy: -160.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1991.090430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.090430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.090430 (E_RNA)
where:
Base-Base interactions energy: -1343.988
where: short stacking energy: -583.345
Base-Backbone interact. energy: -2.104
local terms energy: -644.998273
where:
bonds (distance) C4'-P energy: -133.331
bonds (distance) P-C4' energy: -119.190
flat angles C4'-P-C4' energy: -149.825
flat angles P-C4'-P energy: -96.002
tors. eta vs tors. theta energy: -146.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1977.676328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.676328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.676328 (E_RNA)
where:
Base-Base interactions energy: -1360.367
where: short stacking energy: -594.803
Base-Backbone interact. energy: -2.969
local terms energy: -614.340679
where:
bonds (distance) C4'-P energy: -111.951
bonds (distance) P-C4' energy: -114.920
flat angles C4'-P-C4' energy: -139.781
flat angles P-C4'-P energy: -91.879
tors. eta vs tors. theta energy: -155.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1815.988546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.988546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.988546 (E_RNA)
where:
Base-Base interactions energy: -1231.828
where: short stacking energy: -554.366
Base-Backbone interact. energy: -1.116
local terms energy: -583.044510
where:
bonds (distance) C4'-P energy: -120.081
bonds (distance) P-C4' energy: -103.058
flat angles C4'-P-C4' energy: -138.053
flat angles P-C4'-P energy: -80.204
tors. eta vs tors. theta energy: -141.649
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: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1686.322024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.322024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.322024 (E_RNA)
where:
Base-Base interactions energy: -1117.079
where: short stacking energy: -505.858
Base-Backbone interact. energy: -1.759
local terms energy: -567.483931
where:
bonds (distance) C4'-P energy: -105.276
bonds (distance) P-C4' energy: -130.282
flat angles C4'-P-C4' energy: -119.877
flat angles P-C4'-P energy: -84.431
tors. eta vs tors. theta energy: -127.618
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: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1563.604783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.604783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.604783 (E_RNA)
where:
Base-Base interactions energy: -1028.350
where: short stacking energy: -458.727
Base-Backbone interact. energy: -3.300
local terms energy: -531.955404
where:
bonds (distance) C4'-P energy: -107.030
bonds (distance) P-C4' energy: -110.061
flat angles C4'-P-C4' energy: -122.091
flat angles P-C4'-P energy: -77.972
tors. eta vs tors. theta energy: -114.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1375.215603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.215603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.215603 (E_RNA)
where:
Base-Base interactions energy: -882.262
where: short stacking energy: -406.374
Base-Backbone interact. energy: -2.879
local terms energy: -490.074451
where:
bonds (distance) C4'-P energy: -102.138
bonds (distance) P-C4' energy: -118.513
flat angles C4'-P-C4' energy: -101.305
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -92.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1062.141816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.141816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.141816 (E_RNA)
where:
Base-Base interactions energy: -620.172
where: short stacking energy: -333.675
Base-Backbone interact. energy: 1.638
local terms energy: -443.608281
where:
bonds (distance) C4'-P energy: -108.769
bonds (distance) P-C4' energy: -112.328
flat angles C4'-P-C4' energy: -104.363
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -61.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -680.431194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.431194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.431194 (E_RNA)
where:
Base-Base interactions energy: -328.664
where: short stacking energy: -209.219
Base-Backbone interact. energy: -2.410
local terms energy: -349.356783
where:
bonds (distance) C4'-P energy: -95.655
bonds (distance) P-C4' energy: -84.280
flat angles C4'-P-C4' energy: -93.319
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -12.882
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: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -653.007708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.007708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.007708 (E_RNA)
where:
Base-Base interactions energy: -317.964
where: short stacking energy: -169.662
Base-Backbone interact. energy: 2.974
local terms energy: -338.017512
where:
bonds (distance) C4'-P energy: -106.600
bonds (distance) P-C4' energy: -98.194
flat angles C4'-P-C4' energy: -101.196
flat angles P-C4'-P energy: -52.269
tors. eta vs tors. theta energy: 20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2107.339679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.339679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.339679 (E_RNA)
where:
Base-Base interactions energy: -1448.148
where: short stacking energy: -646.971
Base-Backbone interact. energy: 0.459
local terms energy: -659.650831
where:
bonds (distance) C4'-P energy: -126.036
bonds (distance) P-C4' energy: -127.129
flat angles C4'-P-C4' energy: -143.852
flat angles P-C4'-P energy: -100.516
tors. eta vs tors. theta energy: -162.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2053.074602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.074602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.074602 (E_RNA)
where:
Base-Base interactions energy: -1408.269
where: short stacking energy: -580.984
Base-Backbone interact. energy: -0.734
local terms energy: -644.071076
where:
bonds (distance) C4'-P energy: -122.666
bonds (distance) P-C4' energy: -127.388
flat angles C4'-P-C4' energy: -137.834
flat angles P-C4'-P energy: -88.366
tors. eta vs tors. theta energy: -167.817
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: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1954.944819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.944819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.944819 (E_RNA)
where:
Base-Base interactions energy: -1325.588
where: short stacking energy: -596.417
Base-Backbone interact. energy: -4.050
local terms energy: -625.307528
where:
bonds (distance) C4'-P energy: -119.827
bonds (distance) P-C4' energy: -138.418
flat angles C4'-P-C4' energy: -137.909
flat angles P-C4'-P energy: -80.473
tors. eta vs tors. theta energy: -148.681
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: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1788.930443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.930443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.930443 (E_RNA)
where:
Base-Base interactions energy: -1195.537
where: short stacking energy: -548.738
Base-Backbone interact. energy: -2.646
local terms energy: -590.747542
where:
bonds (distance) C4'-P energy: -115.151
bonds (distance) P-C4' energy: -127.942
flat angles C4'-P-C4' energy: -134.283
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -141.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1721.926140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.926140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.926140 (E_RNA)
where:
Base-Base interactions energy: -1172.498
where: short stacking energy: -536.639
Base-Backbone interact. energy: 5.663
local terms energy: -555.091174
where:
bonds (distance) C4'-P energy: -104.352
bonds (distance) P-C4' energy: -111.301
flat angles C4'-P-C4' energy: -120.128
flat angles P-C4'-P energy: -91.953
tors. eta vs tors. theta energy: -127.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1589.440313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.440313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.440313 (E_RNA)
where:
Base-Base interactions energy: -1059.868
where: short stacking energy: -466.652
Base-Backbone interact. energy: -1.854
local terms energy: -527.718330
where:
bonds (distance) C4'-P energy: -105.240
bonds (distance) P-C4' energy: -104.070
flat angles C4'-P-C4' energy: -117.105
flat angles P-C4'-P energy: -73.981
tors. eta vs tors. theta energy: -127.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1366.943865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.943865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.943865 (E_RNA)
where:
Base-Base interactions energy: -870.117
where: short stacking energy: -381.997
Base-Backbone interact. energy: 1.201
local terms energy: -498.028062
where:
bonds (distance) C4'-P energy: -108.944
bonds (distance) P-C4' energy: -109.278
flat angles C4'-P-C4' energy: -122.078
flat angles P-C4'-P energy: -84.149
tors. eta vs tors. theta energy: -73.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -974.378045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.378045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.378045 (E_RNA)
where:
Base-Base interactions energy: -558.497
where: short stacking energy: -279.414
Base-Backbone interact. energy: -2.134
local terms energy: -413.746730
where:
bonds (distance) C4'-P energy: -110.185
bonds (distance) P-C4' energy: -114.515
flat angles C4'-P-C4' energy: -95.302
flat angles P-C4'-P energy: -58.749
tors. eta vs tors. theta energy: -34.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -680.167947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.167947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.167947 (E_RNA)
where:
Base-Base interactions energy: -331.330
where: short stacking energy: -207.860
Base-Backbone interact. energy: 4.508
local terms energy: -353.345552
where:
bonds (distance) C4'-P energy: -93.135
bonds (distance) P-C4' energy: -108.131
flat angles C4'-P-C4' energy: -101.154
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: -1.215
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -645.051978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.051978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.051978 (E_RNA)
where:
Base-Base interactions energy: -277.520
where: short stacking energy: -171.871
Base-Backbone interact. energy: 4.907
local terms energy: -372.439025
where:
bonds (distance) C4'-P energy: -102.624
bonds (distance) P-C4' energy: -103.690
flat angles C4'-P-C4' energy: -106.732
flat angles P-C4'-P energy: -62.066
tors. eta vs tors. theta energy: 2.673
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: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2138.015830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.015830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.015830 (E_RNA)
where:
Base-Base interactions energy: -1421.179
where: short stacking energy: -615.250
Base-Backbone interact. energy: -2.017
local terms energy: -714.819935
where:
bonds (distance) C4'-P energy: -137.433
bonds (distance) P-C4' energy: -144.729
flat angles C4'-P-C4' energy: -162.892
flat angles P-C4'-P energy: -93.017
tors. eta vs tors. theta energy: -176.748
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: 52
Temperature: 0.950000
Total energy: -2053.694211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.694211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.694211 (E_RNA)
where:
Base-Base interactions energy: -1429.494
where: short stacking energy: -587.620
Base-Backbone interact. energy: -3.660
local terms energy: -620.539889
where:
bonds (distance) C4'-P energy: -119.218
bonds (distance) P-C4' energy: -113.987
flat angles C4'-P-C4' energy: -138.210
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -162.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1949.924242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.924242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.924242 (E_RNA)
where:
Base-Base interactions energy: -1343.294
where: short stacking energy: -556.520
Base-Backbone interact. energy: 2.668
local terms energy: -609.298140
where:
bonds (distance) C4'-P energy: -125.407
bonds (distance) P-C4' energy: -132.211
flat angles C4'-P-C4' energy: -135.508
flat angles P-C4'-P energy: -72.495
tors. eta vs tors. theta energy: -143.677
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: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1788.148879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.148879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.148879 (E_RNA)
where:
Base-Base interactions energy: -1191.991
where: short stacking energy: -535.475
Base-Backbone interact. energy: -1.660
local terms energy: -594.498004
where:
bonds (distance) C4'-P energy: -125.276
bonds (distance) P-C4' energy: -121.204
flat angles C4'-P-C4' energy: -135.816
flat angles P-C4'-P energy: -79.931
tors. eta vs tors. theta energy: -132.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1715.842245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.842245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.842245 (E_RNA)
where:
Base-Base interactions energy: -1148.117
where: short stacking energy: -520.480
Base-Backbone interact. energy: -0.731
local terms energy: -566.994606
where:
bonds (distance) C4'-P energy: -131.921
bonds (distance) P-C4' energy: -106.629
flat angles C4'-P-C4' energy: -129.745
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -125.008
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: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1637.907972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.907972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.907972 (E_RNA)
where:
Base-Base interactions energy: -1067.869
where: short stacking energy: -461.725
Base-Backbone interact. energy: -6.503
local terms energy: -563.536604
where:
bonds (distance) C4'-P energy: -112.570
bonds (distance) P-C4' energy: -118.342
flat angles C4'-P-C4' energy: -127.075
flat angles P-C4'-P energy: -80.778
tors. eta vs tors. theta energy: -124.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1405.857769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.857769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.857769 (E_RNA)
where:
Base-Base interactions energy: -923.504
where: short stacking energy: -435.792
Base-Backbone interact. energy: -2.509
local terms energy: -479.844783
where:
bonds (distance) C4'-P energy: -99.864
bonds (distance) P-C4' energy: -92.863
flat angles C4'-P-C4' energy: -127.681
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: -99.050
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: 52
Temperature: 1.250000
Total energy: -1020.688843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.688843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.688843 (E_RNA)
where:
Base-Base interactions energy: -571.527
where: short stacking energy: -288.472
Base-Backbone interact. energy: -1.643
local terms energy: -447.517969
where:
bonds (distance) C4'-P energy: -105.112
bonds (distance) P-C4' energy: -116.206
flat angles C4'-P-C4' energy: -113.517
flat angles P-C4'-P energy: -67.002
tors. eta vs tors. theta energy: -45.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -695.302369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.302369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.302369 (E_RNA)
where:
Base-Base interactions energy: -329.194
where: short stacking energy: -201.501
Base-Backbone interact. energy: 7.135
local terms energy: -373.243500
where:
bonds (distance) C4'-P energy: -113.982
bonds (distance) P-C4' energy: -127.018
flat angles C4'-P-C4' energy: -91.547
flat angles P-C4'-P energy: -58.887
tors. eta vs tors. theta energy: 18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -674.085578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.085578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.085578 (E_RNA)
where:
Base-Base interactions energy: -326.867
where: short stacking energy: -206.079
Base-Backbone interact. energy: 3.798
local terms energy: -351.016763
where:
bonds (distance) C4'-P energy: -110.589
bonds (distance) P-C4' energy: -111.844
flat angles C4'-P-C4' energy: -91.718
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: 9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2131.163580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.163580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.163580 (E_RNA)
where:
Base-Base interactions energy: -1435.485
where: short stacking energy: -636.983
Base-Backbone interact. energy: -1.582
local terms energy: -694.095849
where:
bonds (distance) C4'-P energy: -127.117
bonds (distance) P-C4' energy: -132.234
flat angles C4'-P-C4' energy: -148.448
flat angles P-C4'-P energy: -112.575
tors. eta vs tors. theta energy: -173.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2059.609456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.609456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.609456 (E_RNA)
where:
Base-Base interactions energy: -1406.620
where: short stacking energy: -570.346
Base-Backbone interact. energy: -3.461
local terms energy: -649.529186
where:
bonds (distance) C4'-P energy: -127.921
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -152.791
flat angles P-C4'-P energy: -90.992
tors. eta vs tors. theta energy: -144.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1981.451349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.451349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.451349 (E_RNA)
where:
Base-Base interactions energy: -1335.415
where: short stacking energy: -580.467
Base-Backbone interact. energy: -2.008
local terms energy: -644.027947
where:
bonds (distance) C4'-P energy: -130.896
bonds (distance) P-C4' energy: -117.584
flat angles C4'-P-C4' energy: -143.193
flat angles P-C4'-P energy: -97.203
tors. eta vs tors. theta energy: -155.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1822.432697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.432697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.432697 (E_RNA)
where:
Base-Base interactions energy: -1203.932
where: short stacking energy: -516.566
Base-Backbone interact. energy: -0.926
local terms energy: -617.574844
where:
bonds (distance) C4'-P energy: -137.892
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -127.836
flat angles P-C4'-P energy: -76.971
tors. eta vs tors. theta energy: -139.264
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: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1798.632943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.632943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.632943 (E_RNA)
where:
Base-Base interactions energy: -1195.459
where: short stacking energy: -547.274
Base-Backbone interact. energy: -3.118
local terms energy: -600.055577
where:
bonds (distance) C4'-P energy: -110.705
bonds (distance) P-C4' energy: -132.171
flat angles C4'-P-C4' energy: -133.165
flat angles P-C4'-P energy: -79.503
tors. eta vs tors. theta energy: -144.513
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: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1592.319963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.319963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.319963 (E_RNA)
where:
Base-Base interactions energy: -1069.756
where: short stacking energy: -464.134
Base-Backbone interact. energy: -3.351
local terms energy: -519.212363
where:
bonds (distance) C4'-P energy: -112.734
bonds (distance) P-C4' energy: -113.338
flat angles C4'-P-C4' energy: -118.796
flat angles P-C4'-P energy: -67.366
tors. eta vs tors. theta energy: -106.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1373.611816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.611816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.611816 (E_RNA)
where:
Base-Base interactions energy: -886.155
where: short stacking energy: -400.988
Base-Backbone interact. energy: -2.330
local terms energy: -485.126462
where:
bonds (distance) C4'-P energy: -93.367
bonds (distance) P-C4' energy: -113.431
flat angles C4'-P-C4' energy: -118.126
flat angles P-C4'-P energy: -75.671
tors. eta vs tors. theta energy: -84.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -991.587585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.587585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.587585 (E_RNA)
where:
Base-Base interactions energy: -586.393
where: short stacking energy: -289.753
Base-Backbone interact. energy: 1.723
local terms energy: -406.917406
where:
bonds (distance) C4'-P energy: -102.658
bonds (distance) P-C4' energy: -113.962
flat angles C4'-P-C4' energy: -104.033
flat angles P-C4'-P energy: -49.637
tors. eta vs tors. theta energy: -36.629
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: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -811.075171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.075171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.075171 (E_RNA)
where:
Base-Base interactions energy: -406.909
where: short stacking energy: -228.300
Base-Backbone interact. energy: -1.992
local terms energy: -402.174230
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -119.302
flat angles C4'-P-C4' energy: -100.942
flat angles P-C4'-P energy: -56.562
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -673.246967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.246967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.246967 (E_RNA)
where:
Base-Base interactions energy: -328.344
where: short stacking energy: -178.255
Base-Backbone interact. energy: 1.685
local terms energy: -346.587419
where:
bonds (distance) C4'-P energy: -100.653
bonds (distance) P-C4' energy: -103.417
flat angles C4'-P-C4' energy: -86.713
flat angles P-C4'-P energy: -56.232
tors. eta vs tors. theta energy: 0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2132.666048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.666048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.666048 (E_RNA)
where:
Base-Base interactions energy: -1434.171
where: short stacking energy: -634.177
Base-Backbone interact. energy: -2.272
local terms energy: -696.222796
where:
bonds (distance) C4'-P energy: -127.993
bonds (distance) P-C4' energy: -134.846
flat angles C4'-P-C4' energy: -155.471
flat angles P-C4'-P energy: -95.659
tors. eta vs tors. theta energy: -182.254
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: 54
Temperature: 0.950000
Total energy: -2101.100942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.100942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.100942 (E_RNA)
where:
Base-Base interactions energy: -1439.763
where: short stacking energy: -622.029
Base-Backbone interact. energy: -3.625
local terms energy: -657.712707
where:
bonds (distance) C4'-P energy: -125.857
bonds (distance) P-C4' energy: -135.746
flat angles C4'-P-C4' energy: -134.062
flat angles P-C4'-P energy: -99.870
tors. eta vs tors. theta energy: -162.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1984.604462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.604462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.604462 (E_RNA)
where:
Base-Base interactions energy: -1350.160
where: short stacking energy: -577.370
Base-Backbone interact. energy: -3.841
local terms energy: -630.603919
where:
bonds (distance) C4'-P energy: -129.638
bonds (distance) P-C4' energy: -115.077
flat angles C4'-P-C4' energy: -137.427
flat angles P-C4'-P energy: -87.336
tors. eta vs tors. theta energy: -161.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1839.708865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.708865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.708865 (E_RNA)
where:
Base-Base interactions energy: -1211.962
where: short stacking energy: -555.445
Base-Backbone interact. energy: -0.103
local terms energy: -627.644324
where:
bonds (distance) C4'-P energy: -129.745
bonds (distance) P-C4' energy: -122.001
flat angles C4'-P-C4' energy: -140.392
flat angles P-C4'-P energy: -95.880
tors. eta vs tors. theta energy: -139.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1615.022336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.022336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.022336 (E_RNA)
where:
Base-Base interactions energy: -1040.090
where: short stacking energy: -452.326
Base-Backbone interact. energy: -2.808
local terms energy: -572.124045
where:
bonds (distance) C4'-P energy: -119.515
bonds (distance) P-C4' energy: -144.392
flat angles C4'-P-C4' energy: -124.174
flat angles P-C4'-P energy: -73.893
tors. eta vs tors. theta energy: -110.150
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: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1670.924467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.924467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.924467 (E_RNA)
where:
Base-Base interactions energy: -1082.627
where: short stacking energy: -501.416
Base-Backbone interact. energy: -1.002
local terms energy: -587.295513
where:
bonds (distance) C4'-P energy: -120.411
bonds (distance) P-C4' energy: -122.462
flat angles C4'-P-C4' energy: -114.528
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -145.949
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: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1342.328423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.328423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.328423 (E_RNA)
where:
Base-Base interactions energy: -852.509
where: short stacking energy: -388.177
Base-Backbone interact. energy: 1.326
local terms energy: -491.145488
where:
bonds (distance) C4'-P energy: -112.720
bonds (distance) P-C4' energy: -94.831
flat angles C4'-P-C4' energy: -134.199
flat angles P-C4'-P energy: -68.475
tors. eta vs tors. theta energy: -80.921
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: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -960.865944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.865944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.865944 (E_RNA)
where:
Base-Base interactions energy: -549.780
where: short stacking energy: -291.552
Base-Backbone interact. energy: -1.377
local terms energy: -409.708440
where:
bonds (distance) C4'-P energy: -112.640
bonds (distance) P-C4' energy: -125.126
flat angles C4'-P-C4' energy: -88.007
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -827.228591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.228591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.228591 (E_RNA)
where:
Base-Base interactions energy: -430.408
where: short stacking energy: -219.940
Base-Backbone interact. energy: 1.802
local terms energy: -398.622639
where:
bonds (distance) C4'-P energy: -113.696
bonds (distance) P-C4' energy: -108.939
flat angles C4'-P-C4' energy: -93.231
flat angles P-C4'-P energy: -83.829
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -610.943635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.943635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.943635 (E_RNA)
where:
Base-Base interactions energy: -251.856
where: short stacking energy: -166.333
Base-Backbone interact. energy: 0.076
local terms energy: -359.164528
where:
bonds (distance) C4'-P energy: -101.118
bonds (distance) P-C4' energy: -108.411
flat angles C4'-P-C4' energy: -95.513
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2143.512507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.512507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.512507 (E_RNA)
where:
Base-Base interactions energy: -1449.927
where: short stacking energy: -624.510
Base-Backbone interact. energy: 0.774
local terms energy: -694.359449
where:
bonds (distance) C4'-P energy: -130.403
bonds (distance) P-C4' energy: -144.954
flat angles C4'-P-C4' energy: -149.120
flat angles P-C4'-P energy: -97.960
tors. eta vs tors. theta energy: -171.923
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: 55
Temperature: 0.950000
Total energy: -2085.377822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.377822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.377822 (E_RNA)
where:
Base-Base interactions energy: -1421.901
where: short stacking energy: -601.131
Base-Backbone interact. energy: -3.002
local terms energy: -660.474522
where:
bonds (distance) C4'-P energy: -120.226
bonds (distance) P-C4' energy: -131.552
flat angles C4'-P-C4' energy: -152.921
flat angles P-C4'-P energy: -88.909
tors. eta vs tors. theta energy: -166.865
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1996.017014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.017014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.017014 (E_RNA)
where:
Base-Base interactions energy: -1347.593
where: short stacking energy: -581.603
Base-Backbone interact. energy: -4.796
local terms energy: -643.628500
where:
bonds (distance) C4'-P energy: -128.567
bonds (distance) P-C4' energy: -126.546
flat angles C4'-P-C4' energy: -148.787
flat angles P-C4'-P energy: -90.172
tors. eta vs tors. theta energy: -149.556
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1856.697635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.697635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.697635 (E_RNA)
where:
Base-Base interactions energy: -1247.395
where: short stacking energy: -565.041
Base-Backbone interact. energy: 0.273
local terms energy: -609.576300
where:
bonds (distance) C4'-P energy: -115.666
bonds (distance) P-C4' energy: -119.554
flat angles C4'-P-C4' energy: -139.734
flat angles P-C4'-P energy: -77.531
tors. eta vs tors. theta energy: -157.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1682.373406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.373406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.373406 (E_RNA)
where:
Base-Base interactions energy: -1099.506
where: short stacking energy: -472.820
Base-Backbone interact. energy: 2.401
local terms energy: -585.268290
where:
bonds (distance) C4'-P energy: -124.247
bonds (distance) P-C4' energy: -115.880
flat angles C4'-P-C4' energy: -133.124
flat angles P-C4'-P energy: -82.098
tors. eta vs tors. theta energy: -129.919
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: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1623.773953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.773953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.773953 (E_RNA)
where:
Base-Base interactions energy: -1085.373
where: short stacking energy: -484.973
Base-Backbone interact. energy: 0.682
local terms energy: -539.083206
where:
bonds (distance) C4'-P energy: -109.221
bonds (distance) P-C4' energy: -111.528
flat angles C4'-P-C4' energy: -116.704
flat angles P-C4'-P energy: -79.169
tors. eta vs tors. theta energy: -122.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1344.268471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.268471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.268471 (E_RNA)
where:
Base-Base interactions energy: -876.006
where: short stacking energy: -374.635
Base-Backbone interact. energy: -1.185
local terms energy: -467.077328
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -105.806
flat angles C4'-P-C4' energy: -122.999
flat angles P-C4'-P energy: -67.020
tors. eta vs tors. theta energy: -65.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -939.831406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.831406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.831406 (E_RNA)
where:
Base-Base interactions energy: -541.766
where: short stacking energy: -307.755
Base-Backbone interact. energy: 3.379
local terms energy: -401.444757
where:
bonds (distance) C4'-P energy: -92.611
bonds (distance) P-C4' energy: -125.657
flat angles C4'-P-C4' energy: -94.196
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -49.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -850.887796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.887796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.887796 (E_RNA)
where:
Base-Base interactions energy: -440.134
where: short stacking energy: -245.701
Base-Backbone interact. energy: -2.840
local terms energy: -407.914247
where:
bonds (distance) C4'-P energy: -100.733
bonds (distance) P-C4' energy: -104.524
flat angles C4'-P-C4' energy: -102.768
flat angles P-C4'-P energy: -70.471
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -648.733441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.733441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.733441 (E_RNA)
where:
Base-Base interactions energy: -283.588
where: short stacking energy: -191.972
Base-Backbone interact. energy: -0.959
local terms energy: -364.186646
where:
bonds (distance) C4'-P energy: -126.570
bonds (distance) P-C4' energy: -111.712
flat angles C4'-P-C4' energy: -85.392
flat angles P-C4'-P energy: -62.086
tors. eta vs tors. theta energy: 21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2155.782909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.782909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.782909 (E_RNA)
where:
Base-Base interactions energy: -1479.355
where: short stacking energy: -648.111
Base-Backbone interact. energy: -1.207
local terms energy: -675.220544
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -146.404
flat angles C4'-P-C4' energy: -140.853
flat angles P-C4'-P energy: -91.636
tors. eta vs tors. theta energy: -181.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2121.806760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.806760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.806760 (E_RNA)
where:
Base-Base interactions energy: -1470.996
where: short stacking energy: -622.425
Base-Backbone interact. energy: 1.492
local terms energy: -652.301941
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -132.935
flat angles C4'-P-C4' energy: -147.192
flat angles P-C4'-P energy: -83.614
tors. eta vs tors. theta energy: -164.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1954.392023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.392023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.392023 (E_RNA)
where:
Base-Base interactions energy: -1348.490
where: short stacking energy: -581.225
Base-Backbone interact. energy: -6.457
local terms energy: -599.444508
where:
bonds (distance) C4'-P energy: -115.035
bonds (distance) P-C4' energy: -110.789
flat angles C4'-P-C4' energy: -142.339
flat angles P-C4'-P energy: -84.528
tors. eta vs tors. theta energy: -146.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1842.549492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.549492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.549492 (E_RNA)
where:
Base-Base interactions energy: -1253.230
where: short stacking energy: -553.172
Base-Backbone interact. energy: -0.434
local terms energy: -588.885499
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -120.683
flat angles C4'-P-C4' energy: -153.742
flat angles P-C4'-P energy: -71.099
tors. eta vs tors. theta energy: -143.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1661.480454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.480454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.480454 (E_RNA)
where:
Base-Base interactions energy: -1093.557
where: short stacking energy: -473.024
Base-Backbone interact. energy: -1.100
local terms energy: -566.823226
where:
bonds (distance) C4'-P energy: -103.995
bonds (distance) P-C4' energy: -124.171
flat angles C4'-P-C4' energy: -121.021
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -134.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1611.624230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.624230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.624230 (E_RNA)
where:
Base-Base interactions energy: -1096.238
where: short stacking energy: -493.156
Base-Backbone interact. energy: -3.591
local terms energy: -511.794905
where:
bonds (distance) C4'-P energy: -108.513
bonds (distance) P-C4' energy: -128.794
flat angles C4'-P-C4' energy: -108.079
flat angles P-C4'-P energy: -54.832
tors. eta vs tors. theta energy: -111.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1327.721408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.721408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.721408 (E_RNA)
where:
Base-Base interactions energy: -856.750
where: short stacking energy: -390.949
Base-Backbone interact. energy: -2.249
local terms energy: -468.723089
where:
bonds (distance) C4'-P energy: -118.554
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -96.241
flat angles P-C4'-P energy: -72.670
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: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1067.967991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.967991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.967991 (E_RNA)
where:
Base-Base interactions energy: -605.665
where: short stacking energy: -285.474
Base-Backbone interact. energy: 4.226
local terms energy: -466.528988
where:
bonds (distance) C4'-P energy: -107.144
bonds (distance) P-C4' energy: -126.733
flat angles C4'-P-C4' energy: -110.994
flat angles P-C4'-P energy: -76.448
tors. eta vs tors. theta energy: -45.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -817.935737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.935737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.935737 (E_RNA)
where:
Base-Base interactions energy: -420.305
where: short stacking energy: -223.780
Base-Backbone interact. energy: -1.962
local terms energy: -395.669046
where:
bonds (distance) C4'-P energy: -110.327
bonds (distance) P-C4' energy: -118.872
flat angles C4'-P-C4' energy: -91.805
flat angles P-C4'-P energy: -60.887
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -607.604056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.604056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.604056 (E_RNA)
where:
Base-Base interactions energy: -282.693
where: short stacking energy: -198.826
Base-Backbone interact. energy: 6.715
local terms energy: -331.626170
where:
bonds (distance) C4'-P energy: -98.463
bonds (distance) P-C4' energy: -86.541
flat angles C4'-P-C4' energy: -89.364
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: -4.481
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: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2167.948291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.948291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.948291 (E_RNA)
where:
Base-Base interactions energy: -1458.775
where: short stacking energy: -663.056
Base-Backbone interact. energy: -1.916
local terms energy: -707.257148
where:
bonds (distance) C4'-P energy: -128.472
bonds (distance) P-C4' energy: -138.123
flat angles C4'-P-C4' energy: -154.567
flat angles P-C4'-P energy: -104.602
tors. eta vs tors. theta energy: -181.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2070.758516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.758516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.758516 (E_RNA)
where:
Base-Base interactions energy: -1432.263
where: short stacking energy: -602.028
Base-Backbone interact. energy: 1.003
local terms energy: -639.499132
where:
bonds (distance) C4'-P energy: -127.560
bonds (distance) P-C4' energy: -138.590
flat angles C4'-P-C4' energy: -133.361
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -159.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1979.813246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.813246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.813246 (E_RNA)
where:
Base-Base interactions energy: -1349.434
where: short stacking energy: -565.053
Base-Backbone interact. energy: -1.372
local terms energy: -629.007052
where:
bonds (distance) C4'-P energy: -133.050
bonds (distance) P-C4' energy: -120.138
flat angles C4'-P-C4' energy: -137.162
flat angles P-C4'-P energy: -94.119
tors. eta vs tors. theta energy: -144.537
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: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1824.979315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.979315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.979315 (E_RNA)
where:
Base-Base interactions energy: -1203.673
where: short stacking energy: -539.064
Base-Backbone interact. energy: 0.094
local terms energy: -621.400137
where:
bonds (distance) C4'-P energy: -120.399
bonds (distance) P-C4' energy: -127.323
flat angles C4'-P-C4' energy: -144.094
flat angles P-C4'-P energy: -76.169
tors. eta vs tors. theta energy: -153.415
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: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1698.149185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.149185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.149185 (E_RNA)
where:
Base-Base interactions energy: -1133.152
where: short stacking energy: -523.100
Base-Backbone interact. energy: -1.851
local terms energy: -563.146098
where:
bonds (distance) C4'-P energy: -115.237
bonds (distance) P-C4' energy: -98.009
flat angles C4'-P-C4' energy: -125.850
flat angles P-C4'-P energy: -86.679
tors. eta vs tors. theta energy: -137.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1550.949357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.949357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.949357 (E_RNA)
where:
Base-Base interactions energy: -1013.514
where: short stacking energy: -451.521
Base-Backbone interact. energy: 0.502
local terms energy: -537.937045
where:
bonds (distance) C4'-P energy: -126.950
bonds (distance) P-C4' energy: -125.958
flat angles C4'-P-C4' energy: -111.191
flat angles P-C4'-P energy: -77.154
tors. eta vs tors. theta energy: -96.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1308.727897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.727897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.727897 (E_RNA)
where:
Base-Base interactions energy: -813.830
where: short stacking energy: -364.682
Base-Backbone interact. energy: -0.547
local terms energy: -494.350260
where:
bonds (distance) C4'-P energy: -112.702
bonds (distance) P-C4' energy: -112.886
flat angles C4'-P-C4' energy: -126.504
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -83.746
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1075.738660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.738660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.738660 (E_RNA)
where:
Base-Base interactions energy: -636.032
where: short stacking energy: -297.678
Base-Backbone interact. energy: -2.194
local terms energy: -437.512409
where:
bonds (distance) C4'-P energy: -115.526
bonds (distance) P-C4' energy: -118.232
flat angles C4'-P-C4' energy: -113.417
flat angles P-C4'-P energy: -59.212
tors. eta vs tors. theta energy: -31.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -829.589712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.589712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.589712 (E_RNA)
where:
Base-Base interactions energy: -443.508
where: short stacking energy: -254.055
Base-Backbone interact. energy: -1.804
local terms energy: -384.278042
where:
bonds (distance) C4'-P energy: -99.993
bonds (distance) P-C4' energy: -107.181
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -11.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -601.035269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.035269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.035269 (E_RNA)
where:
Base-Base interactions energy: -261.334
where: short stacking energy: -163.436
Base-Backbone interact. energy: -2.887
local terms energy: -336.813913
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -109.932
flat angles C4'-P-C4' energy: -89.652
flat angles P-C4'-P energy: -51.485
tors. eta vs tors. theta energy: 14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2169.284329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.284329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.284329 (E_RNA)
where:
Base-Base interactions energy: -1469.538
where: short stacking energy: -644.455
Base-Backbone interact. energy: 0.012
local terms energy: -699.758560
where:
bonds (distance) C4'-P energy: -133.152
bonds (distance) P-C4' energy: -141.872
flat angles C4'-P-C4' energy: -140.411
flat angles P-C4'-P energy: -103.992
tors. eta vs tors. theta energy: -180.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2076.435958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.435958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.435958 (E_RNA)
where:
Base-Base interactions energy: -1439.522
where: short stacking energy: -603.183
Base-Backbone interact. energy: -1.512
local terms energy: -635.401558
where:
bonds (distance) C4'-P energy: -121.997
bonds (distance) P-C4' energy: -119.804
flat angles C4'-P-C4' energy: -133.366
flat angles P-C4'-P energy: -95.215
tors. eta vs tors. theta energy: -165.019
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: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1963.183357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.183357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.183357 (E_RNA)
where:
Base-Base interactions energy: -1337.240
where: short stacking energy: -536.562
Base-Backbone interact. energy: -4.552
local terms energy: -621.391092
where:
bonds (distance) C4'-P energy: -129.839
bonds (distance) P-C4' energy: -122.969
flat angles C4'-P-C4' energy: -137.534
flat angles P-C4'-P energy: -96.652
tors. eta vs tors. theta energy: -134.397
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: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1863.518758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.518758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.518758 (E_RNA)
where:
Base-Base interactions energy: -1246.328
where: short stacking energy: -560.092
Base-Backbone interact. energy: 0.149
local terms energy: -617.339679
where:
bonds (distance) C4'-P energy: -119.242
bonds (distance) P-C4' energy: -116.410
flat angles C4'-P-C4' energy: -140.181
flat angles P-C4'-P energy: -89.595
tors. eta vs tors. theta energy: -151.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1726.271891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.271891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.271891 (E_RNA)
where:
Base-Base interactions energy: -1164.569
where: short stacking energy: -521.245
Base-Backbone interact. energy: -7.323
local terms energy: -554.380070
where:
bonds (distance) C4'-P energy: -107.289
bonds (distance) P-C4' energy: -98.808
flat angles C4'-P-C4' energy: -123.541
flat angles P-C4'-P energy: -94.434
tors. eta vs tors. theta energy: -130.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1524.597701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.597701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.597701 (E_RNA)
where:
Base-Base interactions energy: -999.744
where: short stacking energy: -435.109
Base-Backbone interact. energy: -0.820
local terms energy: -524.033110
where:
bonds (distance) C4'-P energy: -115.178
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -134.056
flat angles P-C4'-P energy: -65.260
tors. eta vs tors. theta energy: -95.928
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: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1328.085945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.085945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.085945 (E_RNA)
where:
Base-Base interactions energy: -852.375
where: short stacking energy: -399.349
Base-Backbone interact. energy: 3.747
local terms energy: -479.457304
where:
bonds (distance) C4'-P energy: -115.959
bonds (distance) P-C4' energy: -110.423
flat angles C4'-P-C4' energy: -99.752
flat angles P-C4'-P energy: -64.748
tors. eta vs tors. theta energy: -88.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1105.408887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.408887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.408887 (E_RNA)
where:
Base-Base interactions energy: -626.960
where: short stacking energy: -331.072
Base-Backbone interact. energy: 1.521
local terms energy: -479.970276
where:
bonds (distance) C4'-P energy: -119.078
bonds (distance) P-C4' energy: -109.805
flat angles C4'-P-C4' energy: -121.263
flat angles P-C4'-P energy: -79.409
tors. eta vs tors. theta energy: -50.416
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: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -817.060926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.060926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.060926 (E_RNA)
where:
Base-Base interactions energy: -420.818
where: short stacking energy: -263.151
Base-Backbone interact. energy: 0.313
local terms energy: -396.556302
where:
bonds (distance) C4'-P energy: -103.299
bonds (distance) P-C4' energy: -106.029
flat angles C4'-P-C4' energy: -89.969
flat angles P-C4'-P energy: -58.605
tors. eta vs tors. theta energy: -38.655
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -617.060535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.060535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.060535 (E_RNA)
where:
Base-Base interactions energy: -273.075
where: short stacking energy: -194.402
Base-Backbone interact. energy: -0.030
local terms energy: -343.955256
where:
bonds (distance) C4'-P energy: -92.106
bonds (distance) P-C4' energy: -107.877
flat angles C4'-P-C4' energy: -95.816
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: 9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2178.842836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.842836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.842836 (E_RNA)
where:
Base-Base interactions energy: -1463.325
where: short stacking energy: -650.648
Base-Backbone interact. energy: -2.743
local terms energy: -712.775451
where:
bonds (distance) C4'-P energy: -140.019
bonds (distance) P-C4' energy: -133.394
flat angles C4'-P-C4' energy: -161.771
flat angles P-C4'-P energy: -92.334
tors. eta vs tors. theta energy: -185.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2057.175563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.175563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.175563 (E_RNA)
where:
Base-Base interactions energy: -1421.787
where: short stacking energy: -594.592
Base-Backbone interact. energy: -2.211
local terms energy: -633.177444
where:
bonds (distance) C4'-P energy: -122.417
bonds (distance) P-C4' energy: -134.934
flat angles C4'-P-C4' energy: -139.475
flat angles P-C4'-P energy: -81.756
tors. eta vs tors. theta energy: -154.595
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: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2003.509690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.509690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.509690 (E_RNA)
where:
Base-Base interactions energy: -1351.626
where: short stacking energy: -596.358
Base-Backbone interact. energy: -0.867
local terms energy: -651.016443
where:
bonds (distance) C4'-P energy: -133.306
bonds (distance) P-C4' energy: -133.882
flat angles C4'-P-C4' energy: -141.643
flat angles P-C4'-P energy: -85.269
tors. eta vs tors. theta energy: -156.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1800.639298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.639298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.639298 (E_RNA)
where:
Base-Base interactions energy: -1193.965
where: short stacking energy: -529.180
Base-Backbone interact. energy: 1.950
local terms energy: -608.623833
where:
bonds (distance) C4'-P energy: -120.751
bonds (distance) P-C4' energy: -128.144
flat angles C4'-P-C4' energy: -140.843
flat angles P-C4'-P energy: -87.754
tors. eta vs tors. theta energy: -131.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1804.074322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.074322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.074322 (E_RNA)
where:
Base-Base interactions energy: -1208.782
where: short stacking energy: -524.871
Base-Backbone interact. energy: -0.878
local terms energy: -594.414649
where:
bonds (distance) C4'-P energy: -117.213
bonds (distance) P-C4' energy: -135.688
flat angles C4'-P-C4' energy: -128.848
flat angles P-C4'-P energy: -77.846
tors. eta vs tors. theta energy: -134.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1551.730136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.730136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.730136 (E_RNA)
where:
Base-Base interactions energy: -1032.894
where: short stacking energy: -440.171
Base-Backbone interact. energy: -2.188
local terms energy: -516.648848
where:
bonds (distance) C4'-P energy: -114.020
bonds (distance) P-C4' energy: -114.863
flat angles C4'-P-C4' energy: -118.225
flat angles P-C4'-P energy: -66.592
tors. eta vs tors. theta energy: -102.949
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: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1308.259400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.259400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.259400 (E_RNA)
where:
Base-Base interactions energy: -822.490
where: short stacking energy: -357.870
Base-Backbone interact. energy: 0.730
local terms energy: -486.499849
where:
bonds (distance) C4'-P energy: -125.951
bonds (distance) P-C4' energy: -115.382
flat angles C4'-P-C4' energy: -104.373
flat angles P-C4'-P energy: -68.347
tors. eta vs tors. theta energy: -72.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1072.030511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.030511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.030511 (E_RNA)
where:
Base-Base interactions energy: -640.003
where: short stacking energy: -303.423
Base-Backbone interact. energy: -0.871
local terms energy: -431.157326
where:
bonds (distance) C4'-P energy: -97.416
bonds (distance) P-C4' energy: -130.752
flat angles C4'-P-C4' energy: -106.675
flat angles P-C4'-P energy: -59.233
tors. eta vs tors. theta energy: -37.081
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: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -859.209833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.209833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.209833 (E_RNA)
where:
Base-Base interactions energy: -446.826
where: short stacking energy: -233.659
Base-Backbone interact. energy: 0.837
local terms energy: -413.220849
where:
bonds (distance) C4'-P energy: -116.100
bonds (distance) P-C4' energy: -123.488
flat angles C4'-P-C4' energy: -99.893
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: -15.160
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -657.901650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.901650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.901650 (E_RNA)
where:
Base-Base interactions energy: -326.360
where: short stacking energy: -215.238
Base-Backbone interact. energy: 3.036
local terms energy: -334.577668
where:
bonds (distance) C4'-P energy: -84.038
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -80.700
flat angles P-C4'-P energy: -57.023
tors. eta vs tors. theta energy: -4.038
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: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2157.971974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.971974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.971974 (E_RNA)
where:
Base-Base interactions energy: -1466.039
where: short stacking energy: -642.333
Base-Backbone interact. energy: -3.797
local terms energy: -688.136138
where:
bonds (distance) C4'-P energy: -123.758
bonds (distance) P-C4' energy: -126.205
flat angles C4'-P-C4' energy: -152.133
flat angles P-C4'-P energy: -106.022
tors. eta vs tors. theta energy: -180.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2026.240227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.240227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.240227 (E_RNA)
where:
Base-Base interactions energy: -1399.291
where: short stacking energy: -582.818
Base-Backbone interact. energy: -3.052
local terms energy: -623.896873
where:
bonds (distance) C4'-P energy: -123.296
bonds (distance) P-C4' energy: -120.686
flat angles C4'-P-C4' energy: -134.426
flat angles P-C4'-P energy: -102.250
tors. eta vs tors. theta energy: -143.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1974.651633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.651633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.651633 (E_RNA)
where:
Base-Base interactions energy: -1345.108
where: short stacking energy: -548.577
Base-Backbone interact. energy: -1.079
local terms energy: -628.464717
where:
bonds (distance) C4'-P energy: -112.559
bonds (distance) P-C4' energy: -129.992
flat angles C4'-P-C4' energy: -143.120
flat angles P-C4'-P energy: -90.940
tors. eta vs tors. theta energy: -151.855
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1896.418808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.418808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.418808 (E_RNA)
where:
Base-Base interactions energy: -1260.465
where: short stacking energy: -569.115
Base-Backbone interact. energy: -2.309
local terms energy: -633.645228
where:
bonds (distance) C4'-P energy: -120.339
bonds (distance) P-C4' energy: -126.776
flat angles C4'-P-C4' energy: -140.097
flat angles P-C4'-P energy: -90.787
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: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1786.265469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.265469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.265469 (E_RNA)
where:
Base-Base interactions energy: -1217.989
where: short stacking energy: -525.497
Base-Backbone interact. energy: -1.072
local terms energy: -567.204336
where:
bonds (distance) C4'-P energy: -111.153
bonds (distance) P-C4' energy: -100.556
flat angles C4'-P-C4' energy: -121.090
flat angles P-C4'-P energy: -92.968
tors. eta vs tors. theta energy: -141.436
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: 60
Temperature: 1.150000
Total energy: -1496.303848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.303848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.303848 (E_RNA)
where:
Base-Base interactions energy: -983.859
where: short stacking energy: -417.689
Base-Backbone interact. energy: 1.777
local terms energy: -514.221749
where:
bonds (distance) C4'-P energy: -109.996
bonds (distance) P-C4' energy: -116.049
flat angles C4'-P-C4' energy: -114.635
flat angles P-C4'-P energy: -73.138
tors. eta vs tors. theta energy: -100.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1392.559357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.559357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.559357 (E_RNA)
where:
Base-Base interactions energy: -923.242
where: short stacking energy: -395.861
Base-Backbone interact. energy: -1.863
local terms energy: -467.454134
where:
bonds (distance) C4'-P energy: -105.608
bonds (distance) P-C4' energy: -105.600
flat angles C4'-P-C4' energy: -114.125
flat angles P-C4'-P energy: -50.619
tors. eta vs tors. theta energy: -91.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1084.588442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.588442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.588442 (E_RNA)
where:
Base-Base interactions energy: -648.290
where: short stacking energy: -308.772
Base-Backbone interact. energy: -1.753
local terms energy: -434.545948
where:
bonds (distance) C4'-P energy: -117.375
bonds (distance) P-C4' energy: -116.564
flat angles C4'-P-C4' energy: -104.457
flat angles P-C4'-P energy: -60.763
tors. eta vs tors. theta energy: -35.387
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: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -819.855365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.855365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.855365 (E_RNA)
where:
Base-Base interactions energy: -451.032
where: short stacking energy: -240.603
Base-Backbone interact. energy: -4.891
local terms energy: -363.932580
where:
bonds (distance) C4'-P energy: -109.544
bonds (distance) P-C4' energy: -103.171
flat angles C4'-P-C4' energy: -90.729
flat angles P-C4'-P energy: -61.481
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -661.500331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.500331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.500331 (E_RNA)
where:
Base-Base interactions energy: -342.359
where: short stacking energy: -205.755
Base-Backbone interact. energy: 1.298
local terms energy: -320.439518
where:
bonds (distance) C4'-P energy: -92.807
bonds (distance) P-C4' energy: -103.488
flat angles C4'-P-C4' energy: -88.856
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: 9.488
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: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2139.995283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.995283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.995283 (E_RNA)
where:
Base-Base interactions energy: -1451.815
where: short stacking energy: -633.787
Base-Backbone interact. energy: 1.055
local terms energy: -689.234562
where:
bonds (distance) C4'-P energy: -133.261
bonds (distance) P-C4' energy: -122.328
flat angles C4'-P-C4' energy: -152.285
flat angles P-C4'-P energy: -101.974
tors. eta vs tors. theta energy: -179.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2068.350936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.350936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.350936 (E_RNA)
where:
Base-Base interactions energy: -1405.362
where: short stacking energy: -610.001
Base-Backbone interact. energy: 4.715
local terms energy: -667.703992
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -125.606
flat angles C4'-P-C4' energy: -161.160
flat angles P-C4'-P energy: -89.382
tors. eta vs tors. theta energy: -162.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1964.489919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.489919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.489919 (E_RNA)
where:
Base-Base interactions energy: -1364.378
where: short stacking energy: -562.850
Base-Backbone interact. energy: -0.240
local terms energy: -599.872088
where:
bonds (distance) C4'-P energy: -132.555
bonds (distance) P-C4' energy: -119.414
flat angles C4'-P-C4' energy: -134.339
flat angles P-C4'-P energy: -82.180
tors. eta vs tors. theta energy: -131.384
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1891.256269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.256269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.256269 (E_RNA)
where:
Base-Base interactions energy: -1264.634
where: short stacking energy: -574.606
Base-Backbone interact. energy: 1.637
local terms energy: -628.258844
where:
bonds (distance) C4'-P energy: -126.705
bonds (distance) P-C4' energy: -117.663
flat angles C4'-P-C4' energy: -139.180
flat angles P-C4'-P energy: -94.962
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: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1729.687317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.687317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.687317 (E_RNA)
where:
Base-Base interactions energy: -1168.903
where: short stacking energy: -534.035
Base-Backbone interact. energy: 0.813
local terms energy: -561.597949
where:
bonds (distance) C4'-P energy: -117.096
bonds (distance) P-C4' energy: -107.090
flat angles C4'-P-C4' energy: -119.464
flat angles P-C4'-P energy: -77.602
tors. eta vs tors. theta energy: -140.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1517.681032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.681032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.681032 (E_RNA)
where:
Base-Base interactions energy: -1015.292
where: short stacking energy: -427.316
Base-Backbone interact. energy: -1.597
local terms energy: -500.791707
where:
bonds (distance) C4'-P energy: -116.064
bonds (distance) P-C4' energy: -102.765
flat angles C4'-P-C4' energy: -128.298
flat angles P-C4'-P energy: -57.858
tors. eta vs tors. theta energy: -95.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1400.104275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.104275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.104275 (E_RNA)
where:
Base-Base interactions energy: -900.947
where: short stacking energy: -427.624
Base-Backbone interact. energy: 5.008
local terms energy: -504.165037
where:
bonds (distance) C4'-P energy: -107.046
bonds (distance) P-C4' energy: -113.324
flat angles C4'-P-C4' energy: -117.084
flat angles P-C4'-P energy: -70.497
tors. eta vs tors. theta energy: -96.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1081.823868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.823868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.823868 (E_RNA)
where:
Base-Base interactions energy: -670.891
where: short stacking energy: -309.624
Base-Backbone interact. energy: -1.430
local terms energy: -409.502895
where:
bonds (distance) C4'-P energy: -105.636
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -92.649
flat angles P-C4'-P energy: -70.264
tors. eta vs tors. theta energy: -51.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -831.578110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.578110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.578110 (E_RNA)
where:
Base-Base interactions energy: -460.672
where: short stacking energy: -263.451
Base-Backbone interact. energy: -1.344
local terms energy: -369.562690
where:
bonds (distance) C4'-P energy: -119.692
bonds (distance) P-C4' energy: -100.748
flat angles C4'-P-C4' energy: -101.691
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -704.036538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.036538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.036538 (E_RNA)
where:
Base-Base interactions energy: -329.988
where: short stacking energy: -190.691
Base-Backbone interact. energy: 1.503
local terms energy: -375.551595
where:
bonds (distance) C4'-P energy: -87.169
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -117.200
flat angles P-C4'-P energy: -66.153
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2137.572363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.572363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.572363 (E_RNA)
where:
Base-Base interactions energy: -1423.394
where: short stacking energy: -628.841
Base-Backbone interact. energy: -0.746
local terms energy: -713.432626
where:
bonds (distance) C4'-P energy: -133.777
bonds (distance) P-C4' energy: -136.222
flat angles C4'-P-C4' energy: -158.759
flat angles P-C4'-P energy: -102.556
tors. eta vs tors. theta energy: -182.119
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: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2099.981602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.981602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.981602 (E_RNA)
where:
Base-Base interactions energy: -1464.730
where: short stacking energy: -618.363
Base-Backbone interact. energy: 0.666
local terms energy: -635.917577
where:
bonds (distance) C4'-P energy: -117.652
bonds (distance) P-C4' energy: -115.469
flat angles C4'-P-C4' energy: -155.629
flat angles P-C4'-P energy: -86.528
tors. eta vs tors. theta energy: -160.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1971.715588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.715588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.715588 (E_RNA)
where:
Base-Base interactions energy: -1356.554
where: short stacking energy: -561.448
Base-Backbone interact. energy: 3.570
local terms energy: -618.731210
where:
bonds (distance) C4'-P energy: -123.279
bonds (distance) P-C4' energy: -136.411
flat angles C4'-P-C4' energy: -133.916
flat angles P-C4'-P energy: -86.632
tors. eta vs tors. theta energy: -138.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1899.700218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.700218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.700218 (E_RNA)
where:
Base-Base interactions energy: -1298.552
where: short stacking energy: -579.143
Base-Backbone interact. energy: -2.904
local terms energy: -598.244415
where:
bonds (distance) C4'-P energy: -103.043
bonds (distance) P-C4' energy: -130.224
flat angles C4'-P-C4' energy: -130.211
flat angles P-C4'-P energy: -78.993
tors. eta vs tors. theta energy: -155.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1773.958838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.958838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.958838 (E_RNA)
where:
Base-Base interactions energy: -1197.792
where: short stacking energy: -538.503
Base-Backbone interact. energy: -1.544
local terms energy: -574.623204
where:
bonds (distance) C4'-P energy: -109.500
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -128.058
flat angles P-C4'-P energy: -87.352
tors. eta vs tors. theta energy: -136.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1517.144308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.144308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.144308 (E_RNA)
where:
Base-Base interactions energy: -985.655
where: short stacking energy: -430.891
Base-Backbone interact. energy: -0.485
local terms energy: -531.004346
where:
bonds (distance) C4'-P energy: -114.666
bonds (distance) P-C4' energy: -114.341
flat angles C4'-P-C4' energy: -123.361
flat angles P-C4'-P energy: -69.911
tors. eta vs tors. theta energy: -108.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1281.901752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.901752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.901752 (E_RNA)
where:
Base-Base interactions energy: -776.842
where: short stacking energy: -373.449
Base-Backbone interact. energy: -1.026
local terms energy: -504.033608
where:
bonds (distance) C4'-P energy: -111.857
bonds (distance) P-C4' energy: -124.998
flat angles C4'-P-C4' energy: -106.823
flat angles P-C4'-P energy: -83.993
tors. eta vs tors. theta energy: -76.363
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: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1164.973375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.973375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.973375 (E_RNA)
where:
Base-Base interactions energy: -724.999
where: short stacking energy: -321.990
Base-Backbone interact. energy: 0.883
local terms energy: -440.858094
where:
bonds (distance) C4'-P energy: -108.118
bonds (distance) P-C4' energy: -116.102
flat angles C4'-P-C4' energy: -106.173
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: -42.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -785.270240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.270240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.270240 (E_RNA)
where:
Base-Base interactions energy: -408.054
where: short stacking energy: -220.289
Base-Backbone interact. energy: -3.634
local terms energy: -373.582100
where:
bonds (distance) C4'-P energy: -98.208
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -104.367
flat angles P-C4'-P energy: -55.794
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -674.602731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.602731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.602731 (E_RNA)
where:
Base-Base interactions energy: -313.103
where: short stacking energy: -182.967
Base-Backbone interact. energy: -0.692
local terms energy: -360.807695
where:
bonds (distance) C4'-P energy: -107.134
bonds (distance) P-C4' energy: -131.418
flat angles C4'-P-C4' energy: -93.368
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: 7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2163.246011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.246011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.246011 (E_RNA)
where:
Base-Base interactions energy: -1483.610
where: short stacking energy: -650.948
Base-Backbone interact. energy: -1.468
local terms energy: -678.168522
where:
bonds (distance) C4'-P energy: -117.728
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -147.980
flat angles P-C4'-P energy: -110.346
tors. eta vs tors. theta energy: -172.281
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: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2158.152888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.152888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.152888 (E_RNA)
where:
Base-Base interactions energy: -1510.592
where: short stacking energy: -603.080
Base-Backbone interact. energy: -0.700
local terms energy: -646.860405
where:
bonds (distance) C4'-P energy: -129.773
bonds (distance) P-C4' energy: -133.630
flat angles C4'-P-C4' energy: -137.261
flat angles P-C4'-P energy: -85.930
tors. eta vs tors. theta energy: -160.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1942.333321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.333321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.333321 (E_RNA)
where:
Base-Base interactions energy: -1351.181
where: short stacking energy: -540.537
Base-Backbone interact. energy: -3.798
local terms energy: -587.354313
where:
bonds (distance) C4'-P energy: -121.416
bonds (distance) P-C4' energy: -112.349
flat angles C4'-P-C4' energy: -131.375
flat angles P-C4'-P energy: -92.785
tors. eta vs tors. theta energy: -129.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1929.503762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.503762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.503762 (E_RNA)
where:
Base-Base interactions energy: -1316.507
where: short stacking energy: -568.546
Base-Backbone interact. energy: -3.594
local terms energy: -609.403521
where:
bonds (distance) C4'-P energy: -108.064
bonds (distance) P-C4' energy: -126.735
flat angles C4'-P-C4' energy: -137.696
flat angles P-C4'-P energy: -84.934
tors. eta vs tors. theta energy: -151.976
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1781.246222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.246222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.246222 (E_RNA)
where:
Base-Base interactions energy: -1167.862
where: short stacking energy: -520.134
Base-Backbone interact. energy: -0.494
local terms energy: -612.890755
where:
bonds (distance) C4'-P energy: -125.274
bonds (distance) P-C4' energy: -118.845
flat angles C4'-P-C4' energy: -143.781
flat angles P-C4'-P energy: -80.365
tors. eta vs tors. theta energy: -144.626
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: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1499.644215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.644215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.644215 (E_RNA)
where:
Base-Base interactions energy: -972.393
where: short stacking energy: -431.988
Base-Backbone interact. energy: -1.902
local terms energy: -525.349694
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -119.286
flat angles C4'-P-C4' energy: -120.889
flat angles P-C4'-P energy: -74.489
tors. eta vs tors. theta energy: -98.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1316.674983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.674983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.674983 (E_RNA)
where:
Base-Base interactions energy: -816.196
where: short stacking energy: -406.327
Base-Backbone interact. energy: -1.491
local terms energy: -498.988293
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -110.717
flat angles C4'-P-C4' energy: -115.394
flat angles P-C4'-P energy: -70.396
tors. eta vs tors. theta energy: -89.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1204.007560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.007560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.007560 (E_RNA)
where:
Base-Base interactions energy: -765.598
where: short stacking energy: -338.713
Base-Backbone interact. energy: -1.972
local terms energy: -436.437303
where:
bonds (distance) C4'-P energy: -96.105
bonds (distance) P-C4' energy: -102.328
flat angles C4'-P-C4' energy: -117.586
flat angles P-C4'-P energy: -64.996
tors. eta vs tors. theta energy: -55.422
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: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -837.013318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.013318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.013318 (E_RNA)
where:
Base-Base interactions energy: -448.598
where: short stacking energy: -262.364
Base-Backbone interact. energy: 1.428
local terms energy: -389.843315
where:
bonds (distance) C4'-P energy: -88.632
bonds (distance) P-C4' energy: -112.391
flat angles C4'-P-C4' energy: -99.837
flat angles P-C4'-P energy: -68.347
tors. eta vs tors. theta energy: -20.636
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: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -701.654114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.654114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.654114 (E_RNA)
where:
Base-Base interactions energy: -344.907
where: short stacking energy: -215.198
Base-Backbone interact. energy: 1.852
local terms energy: -358.598690
where:
bonds (distance) C4'-P energy: -98.521
bonds (distance) P-C4' energy: -101.202
flat angles C4'-P-C4' energy: -106.035
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2163.562826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.562826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.562826 (E_RNA)
where:
Base-Base interactions energy: -1495.696
where: short stacking energy: -639.856
Base-Backbone interact. energy: -1.956
local terms energy: -665.911063
where:
bonds (distance) C4'-P energy: -115.793
bonds (distance) P-C4' energy: -124.922
flat angles C4'-P-C4' energy: -151.559
flat angles P-C4'-P energy: -108.431
tors. eta vs tors. theta energy: -165.205
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: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2126.362947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.362947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.362947 (E_RNA)
where:
Base-Base interactions energy: -1471.282
where: short stacking energy: -620.797
Base-Backbone interact. energy: -2.325
local terms energy: -652.755482
where:
bonds (distance) C4'-P energy: -118.081
bonds (distance) P-C4' energy: -117.528
flat angles C4'-P-C4' energy: -146.084
flat angles P-C4'-P energy: -92.684
tors. eta vs tors. theta energy: -178.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1992.626848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.626848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.626848 (E_RNA)
where:
Base-Base interactions energy: -1330.542
where: short stacking energy: -579.326
Base-Backbone interact. energy: -5.204
local terms energy: -656.880874
where:
bonds (distance) C4'-P energy: -128.031
bonds (distance) P-C4' energy: -129.186
flat angles C4'-P-C4' energy: -146.810
flat angles P-C4'-P energy: -96.358
tors. eta vs tors. theta energy: -156.496
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: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1865.761757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.761757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.761757 (E_RNA)
where:
Base-Base interactions energy: -1295.066
where: short stacking energy: -531.172
Base-Backbone interact. energy: -3.840
local terms energy: -566.855953
where:
bonds (distance) C4'-P energy: -117.999
bonds (distance) P-C4' energy: -124.292
flat angles C4'-P-C4' energy: -117.009
flat angles P-C4'-P energy: -78.101
tors. eta vs tors. theta energy: -129.455
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: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1721.020148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.020148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.020148 (E_RNA)
where:
Base-Base interactions energy: -1172.254
where: short stacking energy: -478.780
Base-Backbone interact. energy: -1.083
local terms energy: -547.682533
where:
bonds (distance) C4'-P energy: -128.141
bonds (distance) P-C4' energy: -122.785
flat angles C4'-P-C4' energy: -109.366
flat angles P-C4'-P energy: -81.539
tors. eta vs tors. theta energy: -105.852
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1477.669865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.669865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.669865 (E_RNA)
where:
Base-Base interactions energy: -978.066
where: short stacking energy: -442.530
Base-Backbone interact. energy: -0.043
local terms energy: -499.561162
where:
bonds (distance) C4'-P energy: -102.114
bonds (distance) P-C4' energy: -100.889
flat angles C4'-P-C4' energy: -119.686
flat angles P-C4'-P energy: -82.669
tors. eta vs tors. theta energy: -94.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1330.783742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.783742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.783742 (E_RNA)
where:
Base-Base interactions energy: -853.796
where: short stacking energy: -424.432
Base-Backbone interact. energy: 2.958
local terms energy: -479.945618
where:
bonds (distance) C4'-P energy: -111.686
bonds (distance) P-C4' energy: -110.554
flat angles C4'-P-C4' energy: -103.191
flat angles P-C4'-P energy: -68.449
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: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1136.301831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.301831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.301831 (E_RNA)
where:
Base-Base interactions energy: -714.870
where: short stacking energy: -358.080
Base-Backbone interact. energy: 2.968
local terms energy: -424.399890
where:
bonds (distance) C4'-P energy: -104.359
bonds (distance) P-C4' energy: -106.777
flat angles C4'-P-C4' energy: -98.472
flat angles P-C4'-P energy: -60.258
tors. eta vs tors. theta energy: -54.534
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: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -874.682157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.682157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.682157 (E_RNA)
where:
Base-Base interactions energy: -490.287
where: short stacking energy: -258.990
Base-Backbone interact. energy: -0.251
local terms energy: -384.143460
where:
bonds (distance) C4'-P energy: -105.051
bonds (distance) P-C4' energy: -98.342
flat angles C4'-P-C4' energy: -87.142
flat angles P-C4'-P energy: -70.849
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -705.233847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.233847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.233847 (E_RNA)
where:
Base-Base interactions energy: -328.336
where: short stacking energy: -189.384
Base-Backbone interact. energy: 5.492
local terms energy: -382.389430
where:
bonds (distance) C4'-P energy: -101.861
bonds (distance) P-C4' energy: -123.967
flat angles C4'-P-C4' energy: -95.220
flat angles P-C4'-P energy: -60.752
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2197.285569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.285569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.285569 (E_RNA)
where:
Base-Base interactions energy: -1513.123
where: short stacking energy: -642.125
Base-Backbone interact. energy: -2.372
local terms energy: -681.790541
where:
bonds (distance) C4'-P energy: -124.917
bonds (distance) P-C4' energy: -131.536
flat angles C4'-P-C4' energy: -158.244
flat angles P-C4'-P energy: -100.304
tors. eta vs tors. theta energy: -166.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2107.563034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.563034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.563034 (E_RNA)
where:
Base-Base interactions energy: -1448.241
where: short stacking energy: -624.511
Base-Backbone interact. energy: -3.665
local terms energy: -655.657124
where:
bonds (distance) C4'-P energy: -115.554
bonds (distance) P-C4' energy: -118.982
flat angles C4'-P-C4' energy: -153.966
flat angles P-C4'-P energy: -98.953
tors. eta vs tors. theta energy: -168.203
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: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1976.826535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.826535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.826535 (E_RNA)
where:
Base-Base interactions energy: -1338.619
where: short stacking energy: -554.082
Base-Backbone interact. energy: -7.718
local terms energy: -630.489339
where:
bonds (distance) C4'-P energy: -108.895
bonds (distance) P-C4' energy: -135.360
flat angles C4'-P-C4' energy: -147.701
flat angles P-C4'-P energy: -78.812
tors. eta vs tors. theta energy: -159.723
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: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1865.985570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.985570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.985570 (E_RNA)
where:
Base-Base interactions energy: -1274.599
where: short stacking energy: -532.176
Base-Backbone interact. energy: -2.093
local terms energy: -589.293617
where:
bonds (distance) C4'-P energy: -107.048
bonds (distance) P-C4' energy: -116.515
flat angles C4'-P-C4' energy: -139.537
flat angles P-C4'-P energy: -98.561
tors. eta vs tors. theta energy: -127.633
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: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1733.776540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.776540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.776540 (E_RNA)
where:
Base-Base interactions energy: -1183.235
where: short stacking energy: -510.737
Base-Backbone interact. energy: -1.418
local terms energy: -549.124005
where:
bonds (distance) C4'-P energy: -115.555
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -125.474
flat angles P-C4'-P energy: -51.728
tors. eta vs tors. theta energy: -131.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1513.670881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.670881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.670881 (E_RNA)
where:
Base-Base interactions energy: -998.393
where: short stacking energy: -442.480
Base-Backbone interact. energy: -2.405
local terms energy: -512.872578
where:
bonds (distance) C4'-P energy: -99.940
bonds (distance) P-C4' energy: -114.165
flat angles C4'-P-C4' energy: -109.715
flat angles P-C4'-P energy: -83.081
tors. eta vs tors. theta energy: -105.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1354.793238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.793238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.793238 (E_RNA)
where:
Base-Base interactions energy: -851.480
where: short stacking energy: -407.697
Base-Backbone interact. energy: -4.049
local terms energy: -499.264065
where:
bonds (distance) C4'-P energy: -107.966
bonds (distance) P-C4' energy: -131.083
flat angles C4'-P-C4' energy: -119.593
flat angles P-C4'-P energy: -59.594
tors. eta vs tors. theta energy: -81.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1080.775929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.775929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.775929 (E_RNA)
where:
Base-Base interactions energy: -634.174
where: short stacking energy: -292.620
Base-Backbone interact. energy: -2.705
local terms energy: -443.896597
where:
bonds (distance) C4'-P energy: -109.872
bonds (distance) P-C4' energy: -129.568
flat angles C4'-P-C4' energy: -107.271
flat angles P-C4'-P energy: -58.644
tors. eta vs tors. theta energy: -38.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -838.666631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.666631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.666631 (E_RNA)
where:
Base-Base interactions energy: -428.664
where: short stacking energy: -265.363
Base-Backbone interact. energy: 0.243
local terms energy: -410.244976
where:
bonds (distance) C4'-P energy: -124.711
bonds (distance) P-C4' energy: -115.716
flat angles C4'-P-C4' energy: -97.996
flat angles P-C4'-P energy: -53.040
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -652.501473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.501473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.501473 (E_RNA)
where:
Base-Base interactions energy: -297.876
where: short stacking energy: -162.931
Base-Backbone interact. energy: 1.434
local terms energy: -356.060207
where:
bonds (distance) C4'-P energy: -95.713
bonds (distance) P-C4' energy: -105.018
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: 6.723
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: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2187.160931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.160931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.160931 (E_RNA)
where:
Base-Base interactions energy: -1499.796
where: short stacking energy: -616.403
Base-Backbone interact. energy: 0.242
local terms energy: -687.607354
where:
bonds (distance) C4'-P energy: -154.459
bonds (distance) P-C4' energy: -145.408
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -90.106
tors. eta vs tors. theta energy: -160.372
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: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2147.199787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.199787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.199787 (E_RNA)
where:
Base-Base interactions energy: -1467.056
where: short stacking energy: -594.406
Base-Backbone interact. energy: -3.424
local terms energy: -676.719201
where:
bonds (distance) C4'-P energy: -131.100
bonds (distance) P-C4' energy: -132.843
flat angles C4'-P-C4' energy: -147.384
flat angles P-C4'-P energy: -92.295
tors. eta vs tors. theta energy: -173.098
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: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1967.808081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.808081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.808081 (E_RNA)
where:
Base-Base interactions energy: -1369.012
where: short stacking energy: -557.464
Base-Backbone interact. energy: -0.559
local terms energy: -598.236928
where:
bonds (distance) C4'-P energy: -107.181
bonds (distance) P-C4' energy: -117.149
flat angles C4'-P-C4' energy: -138.760
flat angles P-C4'-P energy: -83.986
tors. eta vs tors. theta energy: -151.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1906.242811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.242811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.242811 (E_RNA)
where:
Base-Base interactions energy: -1304.646
where: short stacking energy: -563.165
Base-Backbone interact. energy: 1.421
local terms energy: -603.017492
where:
bonds (distance) C4'-P energy: -107.302
bonds (distance) P-C4' energy: -126.877
flat angles C4'-P-C4' energy: -127.201
flat angles P-C4'-P energy: -89.620
tors. eta vs tors. theta energy: -152.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1765.559094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.559094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.559094 (E_RNA)
where:
Base-Base interactions energy: -1183.399
where: short stacking energy: -521.288
Base-Backbone interact. energy: 0.754
local terms energy: -582.914163
where:
bonds (distance) C4'-P energy: -108.521
bonds (distance) P-C4' energy: -105.549
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -85.383
tors. eta vs tors. theta energy: -142.842
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1499.377302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.377302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.377302 (E_RNA)
where:
Base-Base interactions energy: -947.904
where: short stacking energy: -423.118
Base-Backbone interact. energy: -4.702
local terms energy: -546.771964
where:
bonds (distance) C4'-P energy: -122.718
bonds (distance) P-C4' energy: -125.549
flat angles C4'-P-C4' energy: -123.148
flat angles P-C4'-P energy: -76.771
tors. eta vs tors. theta energy: -98.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1333.850466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.850466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.850466 (E_RNA)
where:
Base-Base interactions energy: -847.323
where: short stacking energy: -401.865
Base-Backbone interact. energy: -1.672
local terms energy: -484.855282
where:
bonds (distance) C4'-P energy: -119.372
bonds (distance) P-C4' energy: -106.343
flat angles C4'-P-C4' energy: -120.870
flat angles P-C4'-P energy: -61.053
tors. eta vs tors. theta energy: -77.218
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: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1041.494443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.494443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.494443 (E_RNA)
where:
Base-Base interactions energy: -619.004
where: short stacking energy: -326.174
Base-Backbone interact. energy: -2.766
local terms energy: -419.724583
where:
bonds (distance) C4'-P energy: -106.975
bonds (distance) P-C4' energy: -126.669
flat angles C4'-P-C4' energy: -90.554
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: -47.958
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: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -864.256226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.256226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.256226 (E_RNA)
where:
Base-Base interactions energy: -512.855
where: short stacking energy: -260.702
Base-Backbone interact. energy: -1.657
local terms energy: -349.744032
where:
bonds (distance) C4'-P energy: -85.520
bonds (distance) P-C4' energy: -113.657
flat angles C4'-P-C4' energy: -97.615
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -16.191
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: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -632.831149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.831149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.831149 (E_RNA)
where:
Base-Base interactions energy: -286.436
where: short stacking energy: -182.179
Base-Backbone interact. energy: 1.210
local terms energy: -347.605375
where:
bonds (distance) C4'-P energy: -98.317
bonds (distance) P-C4' energy: -120.488
flat angles C4'-P-C4' energy: -99.716
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: 16.061
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: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2154.010695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.010695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.010695 (E_RNA)
where:
Base-Base interactions energy: -1479.420
where: short stacking energy: -629.521
Base-Backbone interact. energy: -4.416
local terms energy: -670.175052
where:
bonds (distance) C4'-P energy: -127.129
bonds (distance) P-C4' energy: -131.209
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -101.847
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: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2171.419965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.419965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.419965 (E_RNA)
where:
Base-Base interactions energy: -1504.780
where: short stacking energy: -644.713
Base-Backbone interact. energy: -4.443
local terms energy: -662.196915
where:
bonds (distance) C4'-P energy: -109.264
bonds (distance) P-C4' energy: -131.704
flat angles C4'-P-C4' energy: -149.640
flat angles P-C4'-P energy: -81.933
tors. eta vs tors. theta energy: -189.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1951.984081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.984081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.984081 (E_RNA)
where:
Base-Base interactions energy: -1355.548
where: short stacking energy: -558.819
Base-Backbone interact. energy: -3.418
local terms energy: -593.017756
where:
bonds (distance) C4'-P energy: -116.460
bonds (distance) P-C4' energy: -123.183
flat angles C4'-P-C4' energy: -130.015
flat angles P-C4'-P energy: -73.535
tors. eta vs tors. theta energy: -149.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1954.479272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.479272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.479272 (E_RNA)
where:
Base-Base interactions energy: -1313.238
where: short stacking energy: -560.658
Base-Backbone interact. energy: -2.152
local terms energy: -639.088505
where:
bonds (distance) C4'-P energy: -129.558
bonds (distance) P-C4' energy: -117.952
flat angles C4'-P-C4' energy: -132.604
flat angles P-C4'-P energy: -98.836
tors. eta vs tors. theta energy: -160.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1697.772153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.772153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.772153 (E_RNA)
where:
Base-Base interactions energy: -1129.727
where: short stacking energy: -506.070
Base-Backbone interact. energy: -2.382
local terms energy: -565.663331
where:
bonds (distance) C4'-P energy: -109.409
bonds (distance) P-C4' energy: -121.189
flat angles C4'-P-C4' energy: -131.781
flat angles P-C4'-P energy: -74.280
tors. eta vs tors. theta energy: -129.004
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: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1443.031784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.031784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.031784 (E_RNA)
where:
Base-Base interactions energy: -913.059
where: short stacking energy: -429.844
Base-Backbone interact. energy: -0.725
local terms energy: -529.247774
where:
bonds (distance) C4'-P energy: -108.250
bonds (distance) P-C4' energy: -115.992
flat angles C4'-P-C4' energy: -134.924
flat angles P-C4'-P energy: -77.880
tors. eta vs tors. theta energy: -92.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1258.025608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.025608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.025608 (E_RNA)
where:
Base-Base interactions energy: -759.268
where: short stacking energy: -370.937
Base-Backbone interact. energy: 0.750
local terms energy: -499.507662
where:
bonds (distance) C4'-P energy: -124.136
bonds (distance) P-C4' energy: -115.665
flat angles C4'-P-C4' energy: -115.924
flat angles P-C4'-P energy: -69.295
tors. eta vs tors. theta energy: -74.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1067.864812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.864812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.864812 (E_RNA)
where:
Base-Base interactions energy: -618.283
where: short stacking energy: -316.270
Base-Backbone interact. energy: 1.082
local terms energy: -450.663909
where:
bonds (distance) C4'-P energy: -113.288
bonds (distance) P-C4' energy: -119.643
flat angles C4'-P-C4' energy: -93.347
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -55.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -828.958410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.958410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.958410 (E_RNA)
where:
Base-Base interactions energy: -472.408
where: short stacking energy: -235.831
Base-Backbone interact. energy: 3.243
local terms energy: -359.792990
where:
bonds (distance) C4'-P energy: -97.967
bonds (distance) P-C4' energy: -111.659
flat angles C4'-P-C4' energy: -89.201
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -661.640756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.640756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.640756 (E_RNA)
where:
Base-Base interactions energy: -273.176
where: short stacking energy: -168.279
Base-Backbone interact. energy: -0.652
local terms energy: -387.812926
where:
bonds (distance) C4'-P energy: -108.919
bonds (distance) P-C4' energy: -128.130
flat angles C4'-P-C4' energy: -86.507
flat angles P-C4'-P energy: -57.879
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2189.335893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.335893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.335893 (E_RNA)
where:
Base-Base interactions energy: -1485.363
where: short stacking energy: -640.844
Base-Backbone interact. energy: -4.139
local terms energy: -699.834343
where:
bonds (distance) C4'-P energy: -131.372
bonds (distance) P-C4' energy: -141.876
flat angles C4'-P-C4' energy: -148.552
flat angles P-C4'-P energy: -101.727
tors. eta vs tors. theta energy: -176.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2122.169684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.169684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.169684 (E_RNA)
where:
Base-Base interactions energy: -1435.907
where: short stacking energy: -608.307
Base-Backbone interact. energy: -3.147
local terms energy: -683.116109
where:
bonds (distance) C4'-P energy: -133.037
bonds (distance) P-C4' energy: -146.220
flat angles C4'-P-C4' energy: -145.297
flat angles P-C4'-P energy: -106.903
tors. eta vs tors. theta energy: -151.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1963.301179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.301179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.301179 (E_RNA)
where:
Base-Base interactions energy: -1348.281
where: short stacking energy: -543.987
Base-Backbone interact. energy: -1.714
local terms energy: -613.306057
where:
bonds (distance) C4'-P energy: -124.040
bonds (distance) P-C4' energy: -137.655
flat angles C4'-P-C4' energy: -135.214
flat angles P-C4'-P energy: -82.961
tors. eta vs tors. theta energy: -133.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1965.093927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.093927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.093927 (E_RNA)
where:
Base-Base interactions energy: -1353.360
where: short stacking energy: -596.981
Base-Backbone interact. energy: -1.488
local terms energy: -610.245719
where:
bonds (distance) C4'-P energy: -120.584
bonds (distance) P-C4' energy: -108.622
flat angles C4'-P-C4' energy: -139.026
flat angles P-C4'-P energy: -77.772
tors. eta vs tors. theta energy: -164.242
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: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1721.410581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.410581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.410581 (E_RNA)
where:
Base-Base interactions energy: -1161.061
where: short stacking energy: -516.331
Base-Backbone interact. energy: 0.518
local terms energy: -560.867728
where:
bonds (distance) C4'-P energy: -100.248
bonds (distance) P-C4' energy: -116.975
flat angles C4'-P-C4' energy: -119.808
flat angles P-C4'-P energy: -87.395
tors. eta vs tors. theta energy: -136.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1461.550990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.550990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.550990 (E_RNA)
where:
Base-Base interactions energy: -970.909
where: short stacking energy: -463.274
Base-Backbone interact. energy: -1.717
local terms energy: -488.924579
where:
bonds (distance) C4'-P energy: -99.995
bonds (distance) P-C4' energy: -113.188
flat angles C4'-P-C4' energy: -110.271
flat angles P-C4'-P energy: -72.605
tors. eta vs tors. theta energy: -92.864
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: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1282.688295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.688295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.688295 (E_RNA)
where:
Base-Base interactions energy: -773.476
where: short stacking energy: -373.594
Base-Backbone interact. energy: -2.817
local terms energy: -506.394960
where:
bonds (distance) C4'-P energy: -112.726
bonds (distance) P-C4' energy: -121.903
flat angles C4'-P-C4' energy: -123.261
flat angles P-C4'-P energy: -72.048
tors. eta vs tors. theta energy: -76.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -946.624875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.624875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.624875 (E_RNA)
where:
Base-Base interactions energy: -515.031
where: short stacking energy: -274.007
Base-Backbone interact. energy: -1.766
local terms energy: -429.828047
where:
bonds (distance) C4'-P energy: -109.147
bonds (distance) P-C4' energy: -118.873
flat angles C4'-P-C4' energy: -96.226
flat angles P-C4'-P energy: -65.744
tors. eta vs tors. theta energy: -39.839
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: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -783.381850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.381850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.381850 (E_RNA)
where:
Base-Base interactions energy: -393.078
where: short stacking energy: -256.987
Base-Backbone interact. energy: -1.504
local terms energy: -388.800612
where:
bonds (distance) C4'-P energy: -117.021
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -73.888
flat angles P-C4'-P energy: -65.292
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -602.894683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.894683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.894683 (E_RNA)
where:
Base-Base interactions energy: -256.835
where: short stacking energy: -175.449
Base-Backbone interact. energy: -1.962
local terms energy: -344.098515
where:
bonds (distance) C4'-P energy: -101.901
bonds (distance) P-C4' energy: -105.281
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -36.888
tors. eta vs tors. theta energy: 10.286
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: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2199.134271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.134271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.134271 (E_RNA)
where:
Base-Base interactions energy: -1479.817
where: short stacking energy: -635.385
Base-Backbone interact. energy: -4.892
local terms energy: -714.425329
where:
bonds (distance) C4'-P energy: -128.695
bonds (distance) P-C4' energy: -135.190
flat angles C4'-P-C4' energy: -157.722
flat angles P-C4'-P energy: -107.691
tors. eta vs tors. theta energy: -185.128
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: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2117.099695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.099695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.099695 (E_RNA)
where:
Base-Base interactions energy: -1447.782
where: short stacking energy: -629.809
Base-Backbone interact. energy: -1.054
local terms energy: -668.263409
where:
bonds (distance) C4'-P energy: -107.308
bonds (distance) P-C4' energy: -134.620
flat angles C4'-P-C4' energy: -148.570
flat angles P-C4'-P energy: -106.657
tors. eta vs tors. theta energy: -171.109
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: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1937.240296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.240296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.240296 (E_RNA)
where:
Base-Base interactions energy: -1326.208
where: short stacking energy: -550.435
Base-Backbone interact. energy: 3.875
local terms energy: -614.907362
where:
bonds (distance) C4'-P energy: -115.599
bonds (distance) P-C4' energy: -119.075
flat angles C4'-P-C4' energy: -143.653
flat angles P-C4'-P energy: -81.813
tors. eta vs tors. theta energy: -154.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1937.259446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.259446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.259446 (E_RNA)
where:
Base-Base interactions energy: -1297.243
where: short stacking energy: -570.393
Base-Backbone interact. energy: -0.622
local terms energy: -639.395058
where:
bonds (distance) C4'-P energy: -116.863
bonds (distance) P-C4' energy: -128.202
flat angles C4'-P-C4' energy: -136.687
flat angles P-C4'-P energy: -83.846
tors. eta vs tors. theta energy: -173.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1772.878551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.878551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.878551 (E_RNA)
where:
Base-Base interactions energy: -1165.913
where: short stacking energy: -530.378
Base-Backbone interact. energy: -2.374
local terms energy: -604.591818
where:
bonds (distance) C4'-P energy: -112.032
bonds (distance) P-C4' energy: -129.195
flat angles C4'-P-C4' energy: -129.769
flat angles P-C4'-P energy: -90.254
tors. eta vs tors. theta energy: -143.342
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: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1528.407597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.407597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.407597 (E_RNA)
where:
Base-Base interactions energy: -1002.511
where: short stacking energy: -433.476
Base-Backbone interact. energy: -0.015
local terms energy: -525.881568
where:
bonds (distance) C4'-P energy: -105.898
bonds (distance) P-C4' energy: -121.831
flat angles C4'-P-C4' energy: -131.391
flat angles P-C4'-P energy: -68.672
tors. eta vs tors. theta energy: -98.089
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: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1282.740223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.740223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.740223 (E_RNA)
where:
Base-Base interactions energy: -774.713
where: short stacking energy: -359.908
Base-Backbone interact. energy: -1.810
local terms energy: -506.217472
where:
bonds (distance) C4'-P energy: -118.324
bonds (distance) P-C4' energy: -113.304
flat angles C4'-P-C4' energy: -131.457
flat angles P-C4'-P energy: -63.168
tors. eta vs tors. theta energy: -79.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -979.091374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.091374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.091374 (E_RNA)
where:
Base-Base interactions energy: -530.456
where: short stacking energy: -273.407
Base-Backbone interact. energy: -2.654
local terms energy: -445.981452
where:
bonds (distance) C4'-P energy: -118.144
bonds (distance) P-C4' energy: -123.208
flat angles C4'-P-C4' energy: -113.932
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -41.943
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: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -763.658301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.658301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.658301 (E_RNA)
where:
Base-Base interactions energy: -361.570
where: short stacking energy: -222.009
Base-Backbone interact. energy: -1.809
local terms energy: -400.278972
where:
bonds (distance) C4'-P energy: -112.793
bonds (distance) P-C4' energy: -109.159
flat angles C4'-P-C4' energy: -108.039
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -27.217
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: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -588.216511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.216511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.216511 (E_RNA)
where:
Base-Base interactions energy: -242.531
where: short stacking energy: -184.780
Base-Backbone interact. energy: 6.903
local terms energy: -352.588412
where:
bonds (distance) C4'-P energy: -106.999
bonds (distance) P-C4' energy: -112.744
flat angles C4'-P-C4' energy: -103.276
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: 9.439
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: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2171.558517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.558517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.558517 (E_RNA)
where:
Base-Base interactions energy: -1482.293
where: short stacking energy: -662.193
Base-Backbone interact. energy: -1.756
local terms energy: -687.510028
where:
bonds (distance) C4'-P energy: -126.696
bonds (distance) P-C4' energy: -127.225
flat angles C4'-P-C4' energy: -147.667
flat angles P-C4'-P energy: -106.014
tors. eta vs tors. theta energy: -179.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2217.342102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.342102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.342102 (E_RNA)
where:
Base-Base interactions energy: -1531.354
where: short stacking energy: -645.838
Base-Backbone interact. energy: -2.881
local terms energy: -683.106476
where:
bonds (distance) C4'-P energy: -139.204
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -132.200
flat angles P-C4'-P energy: -96.029
tors. eta vs tors. theta energy: -189.915
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1987.856093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.856093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.856093 (E_RNA)
where:
Base-Base interactions energy: -1342.470
where: short stacking energy: -615.950
Base-Backbone interact. energy: -4.099
local terms energy: -641.287742
where:
bonds (distance) C4'-P energy: -117.102
bonds (distance) P-C4' energy: -124.535
flat angles C4'-P-C4' energy: -134.807
flat angles P-C4'-P energy: -93.115
tors. eta vs tors. theta energy: -171.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1870.531456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.531456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.531456 (E_RNA)
where:
Base-Base interactions energy: -1275.139
where: short stacking energy: -523.248
Base-Backbone interact. energy: -4.368
local terms energy: -591.023954
where:
bonds (distance) C4'-P energy: -95.453
bonds (distance) P-C4' energy: -143.300
flat angles C4'-P-C4' energy: -134.264
flat angles P-C4'-P energy: -80.583
tors. eta vs tors. theta energy: -137.423
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: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1732.026956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.026956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.026956 (E_RNA)
where:
Base-Base interactions energy: -1159.795
where: short stacking energy: -511.557
Base-Backbone interact. energy: -0.609
local terms energy: -571.623065
where:
bonds (distance) C4'-P energy: -109.195
bonds (distance) P-C4' energy: -131.098
flat angles C4'-P-C4' energy: -122.401
flat angles P-C4'-P energy: -77.559
tors. eta vs tors. theta energy: -131.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1527.489351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.489351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.489351 (E_RNA)
where:
Base-Base interactions energy: -978.913
where: short stacking energy: -417.353
Base-Backbone interact. energy: -2.928
local terms energy: -545.649071
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -131.122
flat angles C4'-P-C4' energy: -124.458
flat angles P-C4'-P energy: -81.659
tors. eta vs tors. theta energy: -96.948
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1255.564599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.564599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.564599 (E_RNA)
where:
Base-Base interactions energy: -765.290
where: short stacking energy: -348.697
Base-Backbone interact. energy: -3.294
local terms energy: -486.980640
where:
bonds (distance) C4'-P energy: -125.971
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -105.640
flat angles P-C4'-P energy: -81.327
tors. eta vs tors. theta energy: -54.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1026.284452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.284452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.284452 (E_RNA)
where:
Base-Base interactions energy: -611.646
where: short stacking energy: -304.532
Base-Backbone interact. energy: 0.811
local terms energy: -415.448815
where:
bonds (distance) C4'-P energy: -111.525
bonds (distance) P-C4' energy: -114.559
flat angles C4'-P-C4' energy: -95.542
flat angles P-C4'-P energy: -69.551
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -719.157920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.157920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.157920 (E_RNA)
where:
Base-Base interactions energy: -366.208
where: short stacking energy: -205.599
Base-Backbone interact. energy: -2.592
local terms energy: -350.357469
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -109.213
flat angles C4'-P-C4' energy: -119.949
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: 4.499
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: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -660.702187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.702187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.702187 (E_RNA)
where:
Base-Base interactions energy: -336.324
where: short stacking energy: -185.239
Base-Backbone interact. energy: 0.154
local terms energy: -324.531551
where:
bonds (distance) C4'-P energy: -91.404
bonds (distance) P-C4' energy: -91.499
flat angles C4'-P-C4' energy: -100.526
flat angles P-C4'-P energy: -50.092
tors. eta vs tors. theta energy: 8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2154.236092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.236092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.236092 (E_RNA)
where:
Base-Base interactions energy: -1493.265
where: short stacking energy: -624.700
Base-Backbone interact. energy: 3.555
local terms energy: -664.525920
where:
bonds (distance) C4'-P energy: -128.786
bonds (distance) P-C4' energy: -130.210
flat angles C4'-P-C4' energy: -144.761
flat angles P-C4'-P energy: -99.765
tors. eta vs tors. theta energy: -161.004
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2194.950460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.950460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.950460 (E_RNA)
where:
Base-Base interactions energy: -1496.903
where: short stacking energy: -652.947
Base-Backbone interact. energy: -3.988
local terms energy: -694.059720
where:
bonds (distance) C4'-P energy: -114.865
bonds (distance) P-C4' energy: -127.994
flat angles C4'-P-C4' energy: -150.445
flat angles P-C4'-P energy: -107.934
tors. eta vs tors. theta energy: -192.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1971.192234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.192234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.192234 (E_RNA)
where:
Base-Base interactions energy: -1336.131
where: short stacking energy: -614.451
Base-Backbone interact. energy: 0.509
local terms energy: -635.570578
where:
bonds (distance) C4'-P energy: -124.674
bonds (distance) P-C4' energy: -130.764
flat angles C4'-P-C4' energy: -130.912
flat angles P-C4'-P energy: -84.496
tors. eta vs tors. theta energy: -164.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1843.729020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.729020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.729020 (E_RNA)
where:
Base-Base interactions energy: -1247.572
where: short stacking energy: -545.640
Base-Backbone interact. energy: -1.651
local terms energy: -594.506443
where:
bonds (distance) C4'-P energy: -110.043
bonds (distance) P-C4' energy: -124.236
flat angles C4'-P-C4' energy: -127.922
flat angles P-C4'-P energy: -87.149
tors. eta vs tors. theta energy: -145.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1737.188420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.188420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.188420 (E_RNA)
where:
Base-Base interactions energy: -1164.908
where: short stacking energy: -498.862
Base-Backbone interact. energy: -0.588
local terms energy: -571.692398
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -121.425
flat angles C4'-P-C4' energy: -125.488
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -130.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1662.675319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.675319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.675319 (E_RNA)
where:
Base-Base interactions energy: -1090.870
where: short stacking energy: -481.032
Base-Backbone interact. energy: -0.809
local terms energy: -570.996450
where:
bonds (distance) C4'-P energy: -122.370
bonds (distance) P-C4' energy: -119.581
flat angles C4'-P-C4' energy: -112.220
flat angles P-C4'-P energy: -91.548
tors. eta vs tors. theta energy: -125.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1260.339862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.339862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.339862 (E_RNA)
where:
Base-Base interactions energy: -787.823
where: short stacking energy: -351.625
Base-Backbone interact. energy: 2.027
local terms energy: -474.543428
where:
bonds (distance) C4'-P energy: -115.213
bonds (distance) P-C4' energy: -123.185
flat angles C4'-P-C4' energy: -106.913
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -64.631
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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1051.507003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.507003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.507003 (E_RNA)
where:
Base-Base interactions energy: -628.147
where: short stacking energy: -302.567
Base-Backbone interact. energy: -2.368
local terms energy: -420.992027
where:
bonds (distance) C4'-P energy: -97.369
bonds (distance) P-C4' energy: -105.558
flat angles C4'-P-C4' energy: -108.048
flat angles P-C4'-P energy: -56.840
tors. eta vs tors. theta energy: -53.177
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -679.508617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.508617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.508617 (E_RNA)
where:
Base-Base interactions energy: -312.097
where: short stacking energy: -216.894
Base-Backbone interact. energy: 6.212
local terms energy: -373.623844
where:
bonds (distance) C4'-P energy: -101.596
bonds (distance) P-C4' energy: -107.945
flat angles C4'-P-C4' energy: -102.721
flat angles P-C4'-P energy: -62.989
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -656.694740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.694740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.694740 (E_RNA)
where:
Base-Base interactions energy: -353.507
where: short stacking energy: -201.079
Base-Backbone interact. energy: 8.597
local terms energy: -311.783951
where:
bonds (distance) C4'-P energy: -103.791
bonds (distance) P-C4' energy: -102.348
flat angles C4'-P-C4' energy: -79.082
flat angles P-C4'-P energy: -41.144
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: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2273.170758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.170758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.170758 (E_RNA)
where:
Base-Base interactions energy: -1568.506
where: short stacking energy: -642.732
Base-Backbone interact. energy: -4.357
local terms energy: -700.307426
where:
bonds (distance) C4'-P energy: -141.736
bonds (distance) P-C4' energy: -131.957
flat angles C4'-P-C4' energy: -149.896
flat angles P-C4'-P energy: -98.234
tors. eta vs tors. theta energy: -178.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2130.994464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.994464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.994464 (E_RNA)
where:
Base-Base interactions energy: -1485.829
where: short stacking energy: -616.688
Base-Backbone interact. energy: -2.914
local terms energy: -642.251566
where:
bonds (distance) C4'-P energy: -122.736
bonds (distance) P-C4' energy: -138.035
flat angles C4'-P-C4' energy: -135.506
flat angles P-C4'-P energy: -92.116
tors. eta vs tors. theta energy: -153.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1975.037900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.037900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.037900 (E_RNA)
where:
Base-Base interactions energy: -1348.768
where: short stacking energy: -598.710
Base-Backbone interact. energy: 0.770
local terms energy: -627.039807
where:
bonds (distance) C4'-P energy: -107.969
bonds (distance) P-C4' energy: -128.118
flat angles C4'-P-C4' energy: -139.376
flat angles P-C4'-P energy: -94.627
tors. eta vs tors. theta energy: -156.950
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: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1850.136188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.136188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.136188 (E_RNA)
where:
Base-Base interactions energy: -1224.390
where: short stacking energy: -539.578
Base-Backbone interact. energy: -3.098
local terms energy: -622.648087
where:
bonds (distance) C4'-P energy: -124.175
bonds (distance) P-C4' energy: -113.780
flat angles C4'-P-C4' energy: -143.917
flat angles P-C4'-P energy: -91.916
tors. eta vs tors. theta energy: -148.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1755.038424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.038424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.038424 (E_RNA)
where:
Base-Base interactions energy: -1193.681
where: short stacking energy: -527.104
Base-Backbone interact. energy: -1.847
local terms energy: -559.510211
where:
bonds (distance) C4'-P energy: -112.724
bonds (distance) P-C4' energy: -98.698
flat angles C4'-P-C4' energy: -133.081
flat angles P-C4'-P energy: -74.261
tors. eta vs tors. theta energy: -140.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1662.001822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.001822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.001822 (E_RNA)
where:
Base-Base interactions energy: -1099.895
where: short stacking energy: -489.131
Base-Backbone interact. energy: -3.385
local terms energy: -558.722611
where:
bonds (distance) C4'-P energy: -118.004
bonds (distance) P-C4' energy: -117.083
flat angles C4'-P-C4' energy: -112.668
flat angles P-C4'-P energy: -90.989
tors. eta vs tors. theta energy: -119.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1291.425196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.425196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.425196 (E_RNA)
where:
Base-Base interactions energy: -832.472
where: short stacking energy: -395.434
Base-Backbone interact. energy: -1.280
local terms energy: -457.672912
where:
bonds (distance) C4'-P energy: -90.639
bonds (distance) P-C4' energy: -116.267
flat angles C4'-P-C4' energy: -118.564
flat angles P-C4'-P energy: -61.391
tors. eta vs tors. theta energy: -70.813
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: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1100.225358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.225358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.225358 (E_RNA)
where:
Base-Base interactions energy: -667.937
where: short stacking energy: -342.638
Base-Backbone interact. energy: -0.944
local terms energy: -431.344424
where:
bonds (distance) C4'-P energy: -100.534
bonds (distance) P-C4' energy: -97.058
flat angles C4'-P-C4' energy: -107.742
flat angles P-C4'-P energy: -63.154
tors. eta vs tors. theta energy: -62.856
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: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -777.278362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.278362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.278362 (E_RNA)
where:
Base-Base interactions energy: -378.354
where: short stacking energy: -219.782
Base-Backbone interact. energy: 4.795
local terms energy: -403.719144
where:
bonds (distance) C4'-P energy: -111.559
bonds (distance) P-C4' energy: -104.000
flat angles C4'-P-C4' energy: -98.153
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -23.027
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: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -604.165442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.165442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.165442 (E_RNA)
where:
Base-Base interactions energy: -251.956
where: short stacking energy: -161.478
Base-Backbone interact. energy: 2.249
local terms energy: -354.457632
where:
bonds (distance) C4'-P energy: -81.536
bonds (distance) P-C4' energy: -120.362
flat angles C4'-P-C4' energy: -102.959
flat angles P-C4'-P energy: -62.127
tors. eta vs tors. theta energy: 12.526
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: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2250.658716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.658716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.658716 (E_RNA)
where:
Base-Base interactions energy: -1544.658
where: short stacking energy: -633.055
Base-Backbone interact. energy: -3.655
local terms energy: -702.345695
where:
bonds (distance) C4'-P energy: -132.359
bonds (distance) P-C4' energy: -129.920
flat angles C4'-P-C4' energy: -146.891
flat angles P-C4'-P energy: -115.981
tors. eta vs tors. theta energy: -177.195
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: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2082.431269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.431269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.431269 (E_RNA)
where:
Base-Base interactions energy: -1449.108
where: short stacking energy: -593.435
Base-Backbone interact. energy: 2.177
local terms energy: -635.501208
where:
bonds (distance) C4'-P energy: -124.052
bonds (distance) P-C4' energy: -127.730
flat angles C4'-P-C4' energy: -139.390
flat angles P-C4'-P energy: -90.907
tors. eta vs tors. theta energy: -153.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1935.747750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.747750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.747750 (E_RNA)
where:
Base-Base interactions energy: -1309.537
where: short stacking energy: -578.955
Base-Backbone interact. energy: -3.203
local terms energy: -623.007117
where:
bonds (distance) C4'-P energy: -125.509
bonds (distance) P-C4' energy: -129.467
flat angles C4'-P-C4' energy: -139.590
flat angles P-C4'-P energy: -67.815
tors. eta vs tors. theta energy: -160.626
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: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1890.778685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.778685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.778685 (E_RNA)
where:
Base-Base interactions energy: -1288.537
where: short stacking energy: -509.473
Base-Backbone interact. energy: 4.176
local terms energy: -606.418013
where:
bonds (distance) C4'-P energy: -119.232
bonds (distance) P-C4' energy: -140.498
flat angles C4'-P-C4' energy: -123.043
flat angles P-C4'-P energy: -92.204
tors. eta vs tors. theta energy: -131.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1751.533566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.533566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.533566 (E_RNA)
where:
Base-Base interactions energy: -1170.481
where: short stacking energy: -538.936
Base-Backbone interact. energy: 0.620
local terms energy: -581.672312
where:
bonds (distance) C4'-P energy: -126.199
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -118.358
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -141.429
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: 73
Temperature: 1.150000
Total energy: -1624.433301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.433301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.433301 (E_RNA)
where:
Base-Base interactions energy: -1090.186
where: short stacking energy: -465.301
Base-Backbone interact. energy: 1.877
local terms energy: -536.123998
where:
bonds (distance) C4'-P energy: -102.070
bonds (distance) P-C4' energy: -118.382
flat angles C4'-P-C4' energy: -127.478
flat angles P-C4'-P energy: -86.430
tors. eta vs tors. theta energy: -101.764
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: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1217.899260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.899260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.899260 (E_RNA)
where:
Base-Base interactions energy: -738.040
where: short stacking energy: -335.982
Base-Backbone interact. energy: 0.836
local terms energy: -480.695244
where:
bonds (distance) C4'-P energy: -112.385
bonds (distance) P-C4' energy: -132.556
flat angles C4'-P-C4' energy: -103.323
flat angles P-C4'-P energy: -55.343
tors. eta vs tors. theta energy: -77.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1102.833689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.833689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.833689 (E_RNA)
where:
Base-Base interactions energy: -626.054
where: short stacking energy: -322.979
Base-Backbone interact. energy: 1.106
local terms energy: -477.885548
where:
bonds (distance) C4'-P energy: -119.629
bonds (distance) P-C4' energy: -107.916
flat angles C4'-P-C4' energy: -117.135
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -52.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -772.017425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.017425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.017425 (E_RNA)
where:
Base-Base interactions energy: -375.871
where: short stacking energy: -206.660
Base-Backbone interact. energy: -1.794
local terms energy: -394.352720
where:
bonds (distance) C4'-P energy: -110.789
bonds (distance) P-C4' energy: -120.012
flat angles C4'-P-C4' energy: -106.438
flat angles P-C4'-P energy: -63.171
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: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -648.453594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.453594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.453594 (E_RNA)
where:
Base-Base interactions energy: -323.594
where: short stacking energy: -198.963
Base-Backbone interact. energy: -0.694
local terms energy: -324.165423
where:
bonds (distance) C4'-P energy: -105.880
bonds (distance) P-C4' energy: -110.352
flat angles C4'-P-C4' energy: -74.103
flat angles P-C4'-P energy: -46.816
tors. eta vs tors. theta energy: 12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2258.646408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.646408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.646408 (E_RNA)
where:
Base-Base interactions energy: -1550.123
where: short stacking energy: -652.859
Base-Backbone interact. energy: 1.618
local terms energy: -710.141492
where:
bonds (distance) C4'-P energy: -132.451
bonds (distance) P-C4' energy: -132.988
flat angles C4'-P-C4' energy: -158.357
flat angles P-C4'-P energy: -105.157
tors. eta vs tors. theta energy: -181.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2093.662996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.662996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.662996 (E_RNA)
where:
Base-Base interactions energy: -1430.753
where: short stacking energy: -603.558
Base-Backbone interact. energy: -3.035
local terms energy: -659.874795
where:
bonds (distance) C4'-P energy: -121.998
bonds (distance) P-C4' energy: -118.925
flat angles C4'-P-C4' energy: -145.797
flat angles P-C4'-P energy: -112.518
tors. eta vs tors. theta energy: -160.637
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: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1964.855613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.855613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.855613 (E_RNA)
where:
Base-Base interactions energy: -1341.326
where: short stacking energy: -564.636
Base-Backbone interact. energy: -1.191
local terms energy: -622.338352
where:
bonds (distance) C4'-P energy: -105.573
bonds (distance) P-C4' energy: -123.991
flat angles C4'-P-C4' energy: -142.402
flat angles P-C4'-P energy: -101.764
tors. eta vs tors. theta energy: -148.609
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: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1888.407992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.407992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.407992 (E_RNA)
where:
Base-Base interactions energy: -1268.529
where: short stacking energy: -591.876
Base-Backbone interact. energy: 1.680
local terms energy: -621.559432
where:
bonds (distance) C4'-P energy: -112.765
bonds (distance) P-C4' energy: -115.944
flat angles C4'-P-C4' energy: -143.529
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -160.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1723.840760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.840760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.840760 (E_RNA)
where:
Base-Base interactions energy: -1128.707
where: short stacking energy: -504.001
Base-Backbone interact. energy: -2.229
local terms energy: -592.905332
where:
bonds (distance) C4'-P energy: -100.857
bonds (distance) P-C4' energy: -119.925
flat angles C4'-P-C4' energy: -137.255
flat angles P-C4'-P energy: -93.053
tors. eta vs tors. theta energy: -141.815
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: 74
Temperature: 1.150000
Total energy: -1600.575477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.575477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.575477 (E_RNA)
where:
Base-Base interactions energy: -1043.974
where: short stacking energy: -447.092
Base-Backbone interact. energy: -0.782
local terms energy: -555.819496
where:
bonds (distance) C4'-P energy: -126.593
bonds (distance) P-C4' energy: -109.316
flat angles C4'-P-C4' energy: -127.148
flat angles P-C4'-P energy: -76.459
tors. eta vs tors. theta energy: -116.303
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: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1257.924932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.924932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.924932 (E_RNA)
where:
Base-Base interactions energy: -745.495
where: short stacking energy: -356.125
Base-Backbone interact. energy: -3.295
local terms energy: -509.134181
where:
bonds (distance) C4'-P energy: -116.214
bonds (distance) P-C4' energy: -118.804
flat angles C4'-P-C4' energy: -124.664
flat angles P-C4'-P energy: -82.276
tors. eta vs tors. theta energy: -67.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1111.413215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.413215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.413215 (E_RNA)
where:
Base-Base interactions energy: -654.912
where: short stacking energy: -328.373
Base-Backbone interact. energy: -3.818
local terms energy: -452.682946
where:
bonds (distance) C4'-P energy: -111.577
bonds (distance) P-C4' energy: -104.617
flat angles C4'-P-C4' energy: -119.646
flat angles P-C4'-P energy: -54.731
tors. eta vs tors. theta energy: -62.111
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: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -770.129355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.129355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.129355 (E_RNA)
where:
Base-Base interactions energy: -405.200
where: short stacking energy: -228.635
Base-Backbone interact. energy: -1.981
local terms energy: -362.948282
where:
bonds (distance) C4'-P energy: -109.726
bonds (distance) P-C4' energy: -115.476
flat angles C4'-P-C4' energy: -96.152
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -632.107685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.107685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.107685 (E_RNA)
where:
Base-Base interactions energy: -291.390
where: short stacking energy: -182.581
Base-Backbone interact. energy: 0.584
local terms energy: -341.301404
where:
bonds (distance) C4'-P energy: -114.258
bonds (distance) P-C4' energy: -111.976
flat angles C4'-P-C4' energy: -82.505
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: 8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2263.218781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.218781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.218781 (E_RNA)
where:
Base-Base interactions energy: -1555.445
where: short stacking energy: -649.645
Base-Backbone interact. energy: -3.188
local terms energy: -704.585493
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -130.063
flat angles C4'-P-C4' energy: -155.862
flat angles P-C4'-P energy: -98.057
tors. eta vs tors. theta energy: -186.743
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: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2050.356853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.356853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.356853 (E_RNA)
where:
Base-Base interactions energy: -1404.900
where: short stacking energy: -612.058
Base-Backbone interact. energy: -7.101
local terms energy: -638.356591
where:
bonds (distance) C4'-P energy: -122.066
bonds (distance) P-C4' energy: -119.579
flat angles C4'-P-C4' energy: -151.866
flat angles P-C4'-P energy: -81.119
tors. eta vs tors. theta energy: -163.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1977.493525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.493525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.493525 (E_RNA)
where:
Base-Base interactions energy: -1357.325
where: short stacking energy: -585.237
Base-Backbone interact. energy: -1.331
local terms energy: -618.837972
where:
bonds (distance) C4'-P energy: -123.884
bonds (distance) P-C4' energy: -107.790
flat angles C4'-P-C4' energy: -149.180
flat angles P-C4'-P energy: -86.608
tors. eta vs tors. theta energy: -151.376
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: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1859.578338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.578338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.578338 (E_RNA)
where:
Base-Base interactions energy: -1209.139
where: short stacking energy: -574.396
Base-Backbone interact. energy: -5.462
local terms energy: -644.977311
where:
bonds (distance) C4'-P energy: -130.074
bonds (distance) P-C4' energy: -132.417
flat angles C4'-P-C4' energy: -128.395
flat angles P-C4'-P energy: -87.157
tors. eta vs tors. theta energy: -166.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1795.725587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.725587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.725587 (E_RNA)
where:
Base-Base interactions energy: -1225.371
where: short stacking energy: -549.509
Base-Backbone interact. energy: -0.477
local terms energy: -569.877156
where:
bonds (distance) C4'-P energy: -103.628
bonds (distance) P-C4' energy: -120.387
flat angles C4'-P-C4' energy: -120.978
flat angles P-C4'-P energy: -77.301
tors. eta vs tors. theta energy: -147.583
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: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1595.535331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.535331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.535331 (E_RNA)
where:
Base-Base interactions energy: -1035.289
where: short stacking energy: -456.335
Base-Backbone interact. energy: 1.122
local terms energy: -561.368284
where:
bonds (distance) C4'-P energy: -126.425
bonds (distance) P-C4' energy: -125.492
flat angles C4'-P-C4' energy: -120.163
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -126.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1296.192312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.192312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.192312 (E_RNA)
where:
Base-Base interactions energy: -809.757
where: short stacking energy: -390.321
Base-Backbone interact. energy: 5.517
local terms energy: -491.952409
where:
bonds (distance) C4'-P energy: -108.809
bonds (distance) P-C4' energy: -111.080
flat angles C4'-P-C4' energy: -127.319
flat angles P-C4'-P energy: -70.632
tors. eta vs tors. theta energy: -74.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1138.596743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.596743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.596743 (E_RNA)
where:
Base-Base interactions energy: -658.687
where: short stacking energy: -314.419
Base-Backbone interact. energy: -1.115
local terms energy: -478.794698
where:
bonds (distance) C4'-P energy: -125.434
bonds (distance) P-C4' energy: -135.417
flat angles C4'-P-C4' energy: -100.637
flat angles P-C4'-P energy: -66.392
tors. eta vs tors. theta energy: -50.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -859.786421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.786421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.786421 (E_RNA)
where:
Base-Base interactions energy: -451.054
where: short stacking energy: -259.062
Base-Backbone interact. energy: -2.158
local terms energy: -406.575123
where:
bonds (distance) C4'-P energy: -110.018
bonds (distance) P-C4' energy: -114.215
flat angles C4'-P-C4' energy: -99.048
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -624.721617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.721617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.721617 (E_RNA)
where:
Base-Base interactions energy: -273.962
where: short stacking energy: -178.590
Base-Backbone interact. energy: -4.342
local terms energy: -346.416762
where:
bonds (distance) C4'-P energy: -95.622
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -84.485
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -9.652
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: 76
Temperature: 0.900000
Total energy: -2256.123061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.123061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.123061 (E_RNA)
where:
Base-Base interactions energy: -1537.171
where: short stacking energy: -646.319
Base-Backbone interact. energy: -4.875
local terms energy: -714.076592
where:
bonds (distance) C4'-P energy: -127.006
bonds (distance) P-C4' energy: -147.554
flat angles C4'-P-C4' energy: -154.255
flat angles P-C4'-P energy: -107.261
tors. eta vs tors. theta energy: -178.001
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: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2078.879893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.879893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.879893 (E_RNA)
where:
Base-Base interactions energy: -1399.265
where: short stacking energy: -617.069
Base-Backbone interact. energy: -2.550
local terms energy: -677.064634
where:
bonds (distance) C4'-P energy: -137.081
bonds (distance) P-C4' energy: -133.714
flat angles C4'-P-C4' energy: -137.015
flat angles P-C4'-P energy: -101.200
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: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1958.198796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.198796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.198796 (E_RNA)
where:
Base-Base interactions energy: -1349.205
where: short stacking energy: -553.840
Base-Backbone interact. energy: -3.758
local terms energy: -605.235609
where:
bonds (distance) C4'-P energy: -134.274
bonds (distance) P-C4' energy: -122.998
flat angles C4'-P-C4' energy: -113.625
flat angles P-C4'-P energy: -92.145
tors. eta vs tors. theta energy: -142.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1842.277746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.277746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.277746 (E_RNA)
where:
Base-Base interactions energy: -1230.440
where: short stacking energy: -535.906
Base-Backbone interact. energy: 3.372
local terms energy: -615.209482
where:
bonds (distance) C4'-P energy: -108.313
bonds (distance) P-C4' energy: -134.521
flat angles C4'-P-C4' energy: -137.024
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -152.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1694.936806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.936806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.936806 (E_RNA)
where:
Base-Base interactions energy: -1114.497
where: short stacking energy: -467.769
Base-Backbone interact. energy: -2.429
local terms energy: -578.010159
where:
bonds (distance) C4'-P energy: -125.051
bonds (distance) P-C4' energy: -134.165
flat angles C4'-P-C4' energy: -123.385
flat angles P-C4'-P energy: -71.697
tors. eta vs tors. theta energy: -123.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1597.876173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.876173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.876173 (E_RNA)
where:
Base-Base interactions energy: -1070.293
where: short stacking energy: -462.551
Base-Backbone interact. energy: -1.251
local terms energy: -526.332486
where:
bonds (distance) C4'-P energy: -117.981
bonds (distance) P-C4' energy: -108.071
flat angles C4'-P-C4' energy: -131.256
flat angles P-C4'-P energy: -63.309
tors. eta vs tors. theta energy: -105.716
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: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1309.606068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.606068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.606068 (E_RNA)
where:
Base-Base interactions energy: -824.746
where: short stacking energy: -397.736
Base-Backbone interact. energy: -2.905
local terms energy: -481.956014
where:
bonds (distance) C4'-P energy: -108.866
bonds (distance) P-C4' energy: -118.963
flat angles C4'-P-C4' energy: -103.525
flat angles P-C4'-P energy: -75.297
tors. eta vs tors. theta energy: -75.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1132.589680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.589680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.589680 (E_RNA)
where:
Base-Base interactions energy: -680.209
where: short stacking energy: -324.403
Base-Backbone interact. energy: -2.551
local terms energy: -449.830164
where:
bonds (distance) C4'-P energy: -97.461
bonds (distance) P-C4' energy: -111.607
flat angles C4'-P-C4' energy: -105.423
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: -60.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -820.745689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.745689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.745689 (E_RNA)
where:
Base-Base interactions energy: -432.509
where: short stacking energy: -229.849
Base-Backbone interact. energy: -2.681
local terms energy: -385.555371
where:
bonds (distance) C4'-P energy: -100.640
bonds (distance) P-C4' energy: -110.147
flat angles C4'-P-C4' energy: -97.329
flat angles P-C4'-P energy: -46.811
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: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -594.692264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.692264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.692264 (E_RNA)
where:
Base-Base interactions energy: -236.227
where: short stacking energy: -164.060
Base-Backbone interact. energy: 0.365
local terms energy: -358.829578
where:
bonds (distance) C4'-P energy: -94.501
bonds (distance) P-C4' energy: -100.995
flat angles C4'-P-C4' energy: -127.592
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: 17.466
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: 77
Temperature: 0.900000
Total energy: -2244.491032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.491032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.491032 (E_RNA)
where:
Base-Base interactions energy: -1562.423
where: short stacking energy: -673.864
Base-Backbone interact. energy: -2.660
local terms energy: -679.408466
where:
bonds (distance) C4'-P energy: -113.787
bonds (distance) P-C4' energy: -131.265
flat angles C4'-P-C4' energy: -148.734
flat angles P-C4'-P energy: -97.770
tors. eta vs tors. theta energy: -187.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2085.322016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.322016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.322016 (E_RNA)
where:
Base-Base interactions energy: -1389.589
where: short stacking energy: -611.787
Base-Backbone interact. energy: -6.455
local terms energy: -689.277989
where:
bonds (distance) C4'-P energy: -137.236
bonds (distance) P-C4' energy: -135.399
flat angles C4'-P-C4' energy: -156.743
flat angles P-C4'-P energy: -110.605
tors. eta vs tors. theta energy: -149.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1997.295179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.295179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.295179 (E_RNA)
where:
Base-Base interactions energy: -1374.069
where: short stacking energy: -557.304
Base-Backbone interact. energy: -0.449
local terms energy: -622.776969
where:
bonds (distance) C4'-P energy: -122.512
bonds (distance) P-C4' energy: -122.967
flat angles C4'-P-C4' energy: -142.661
flat angles P-C4'-P energy: -83.057
tors. eta vs tors. theta energy: -151.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1870.542885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.542885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.542885 (E_RNA)
where:
Base-Base interactions energy: -1267.787
where: short stacking energy: -522.677
Base-Backbone interact. energy: -2.295
local terms energy: -600.461157
where:
bonds (distance) C4'-P energy: -113.989
bonds (distance) P-C4' energy: -122.654
flat angles C4'-P-C4' energy: -134.669
flat angles P-C4'-P energy: -87.925
tors. eta vs tors. theta energy: -141.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1728.470868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.470868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.470868 (E_RNA)
where:
Base-Base interactions energy: -1180.504
where: short stacking energy: -554.757
Base-Backbone interact. energy: 1.309
local terms energy: -549.276358
where:
bonds (distance) C4'-P energy: -99.518
bonds (distance) P-C4' energy: -114.924
flat angles C4'-P-C4' energy: -122.206
flat angles P-C4'-P energy: -69.666
tors. eta vs tors. theta energy: -142.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1632.993268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.993268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.993268 (E_RNA)
where:
Base-Base interactions energy: -1044.273
where: short stacking energy: -460.082
Base-Backbone interact. energy: -3.647
local terms energy: -585.073194
where:
bonds (distance) C4'-P energy: -126.891
bonds (distance) P-C4' energy: -131.081
flat angles C4'-P-C4' energy: -130.233
flat angles P-C4'-P energy: -71.783
tors. eta vs tors. theta energy: -125.085
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: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1329.284737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.284737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.284737 (E_RNA)
where:
Base-Base interactions energy: -842.221
where: short stacking energy: -380.013
Base-Backbone interact. energy: 3.897
local terms energy: -490.961359
where:
bonds (distance) C4'-P energy: -105.775
bonds (distance) P-C4' energy: -112.076
flat angles C4'-P-C4' energy: -110.448
flat angles P-C4'-P energy: -64.446
tors. eta vs tors. theta energy: -98.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1114.151240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.151240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.151240 (E_RNA)
where:
Base-Base interactions energy: -694.913
where: short stacking energy: -332.376
Base-Backbone interact. energy: -2.331
local terms energy: -416.907350
where:
bonds (distance) C4'-P energy: -105.331
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -95.534
flat angles P-C4'-P energy: -65.075
tors. eta vs tors. theta energy: -49.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -836.363498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.363498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.363498 (E_RNA)
where:
Base-Base interactions energy: -447.228
where: short stacking energy: -267.046
Base-Backbone interact. energy: 0.107
local terms energy: -389.242115
where:
bonds (distance) C4'-P energy: -110.898
bonds (distance) P-C4' energy: -114.526
flat angles C4'-P-C4' energy: -110.898
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -11.501
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: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -613.810176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.810176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.810176 (E_RNA)
where:
Base-Base interactions energy: -262.558
where: short stacking energy: -153.142
Base-Backbone interact. energy: 2.280
local terms energy: -353.532870
where:
bonds (distance) C4'-P energy: -106.555
bonds (distance) P-C4' energy: -109.956
flat angles C4'-P-C4' energy: -104.845
flat angles P-C4'-P energy: -49.608
tors. eta vs tors. theta energy: 17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2236.810564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.810564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.810564 (E_RNA)
where:
Base-Base interactions energy: -1531.968
where: short stacking energy: -637.541
Base-Backbone interact. energy: -0.377
local terms energy: -704.466252
where:
bonds (distance) C4'-P energy: -142.379
bonds (distance) P-C4' energy: -131.777
flat angles C4'-P-C4' energy: -148.280
flat angles P-C4'-P energy: -101.827
tors. eta vs tors. theta energy: -180.204
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: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2079.673328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.673328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.673328 (E_RNA)
where:
Base-Base interactions energy: -1424.135
where: short stacking energy: -634.418
Base-Backbone interact. energy: -0.487
local terms energy: -655.051535
where:
bonds (distance) C4'-P energy: -125.628
bonds (distance) P-C4' energy: -122.166
flat angles C4'-P-C4' energy: -141.535
flat angles P-C4'-P energy: -93.335
tors. eta vs tors. theta energy: -172.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1959.380788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.380788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.380788 (E_RNA)
where:
Base-Base interactions energy: -1327.620
where: short stacking energy: -547.536
Base-Backbone interact. energy: -2.063
local terms energy: -629.698009
where:
bonds (distance) C4'-P energy: -136.196
bonds (distance) P-C4' energy: -129.976
flat angles C4'-P-C4' energy: -135.881
flat angles P-C4'-P energy: -94.866
tors. eta vs tors. theta energy: -132.779
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1879.197846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.197846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.197846 (E_RNA)
where:
Base-Base interactions energy: -1248.523
where: short stacking energy: -561.007
Base-Backbone interact. energy: -3.542
local terms energy: -627.132548
where:
bonds (distance) C4'-P energy: -129.124
bonds (distance) P-C4' energy: -124.444
flat angles C4'-P-C4' energy: -142.163
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -157.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1703.406699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.406699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.406699 (E_RNA)
where:
Base-Base interactions energy: -1116.448
where: short stacking energy: -494.636
Base-Backbone interact. energy: -2.290
local terms energy: -584.668753
where:
bonds (distance) C4'-P energy: -122.034
bonds (distance) P-C4' energy: -131.951
flat angles C4'-P-C4' energy: -122.611
flat angles P-C4'-P energy: -62.384
tors. eta vs tors. theta energy: -145.689
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: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1667.525153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.525153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.525153 (E_RNA)
where:
Base-Base interactions energy: -1075.844
where: short stacking energy: -442.698
Base-Backbone interact. energy: -2.017
local terms energy: -589.663484
where:
bonds (distance) C4'-P energy: -118.443
bonds (distance) P-C4' energy: -122.154
flat angles C4'-P-C4' energy: -140.353
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -130.316
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: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1289.666686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.666686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.666686 (E_RNA)
where:
Base-Base interactions energy: -814.154
where: short stacking energy: -367.316
Base-Backbone interact. energy: 3.286
local terms energy: -478.798705
where:
bonds (distance) C4'-P energy: -103.438
bonds (distance) P-C4' energy: -116.493
flat angles C4'-P-C4' energy: -120.121
flat angles P-C4'-P energy: -70.273
tors. eta vs tors. theta energy: -68.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -988.365118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.365118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.365118 (E_RNA)
where:
Base-Base interactions energy: -579.328
where: short stacking energy: -298.364
Base-Backbone interact. energy: 0.723
local terms energy: -409.759897
where:
bonds (distance) C4'-P energy: -92.441
bonds (distance) P-C4' energy: -112.136
flat angles C4'-P-C4' energy: -109.605
flat angles P-C4'-P energy: -63.834
tors. eta vs tors. theta energy: -31.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -828.831584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.831584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.831584 (E_RNA)
where:
Base-Base interactions energy: -429.352
where: short stacking energy: -239.420
Base-Backbone interact. energy: 1.651
local terms energy: -401.130313
where:
bonds (distance) C4'-P energy: -106.114
bonds (distance) P-C4' energy: -121.874
flat angles C4'-P-C4' energy: -105.577
flat angles P-C4'-P energy: -57.557
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -583.658337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.658337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.658337 (E_RNA)
where:
Base-Base interactions energy: -256.712
where: short stacking energy: -182.518
Base-Backbone interact. energy: -0.283
local terms energy: -326.663289
where:
bonds (distance) C4'-P energy: -91.645
bonds (distance) P-C4' energy: -106.978
flat angles C4'-P-C4' energy: -88.974
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: 1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2220.342819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.342819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.342819 (E_RNA)
where:
Base-Base interactions energy: -1521.689
where: short stacking energy: -671.978
Base-Backbone interact. energy: -3.974
local terms energy: -694.679469
where:
bonds (distance) C4'-P energy: -134.319
bonds (distance) P-C4' energy: -121.876
flat angles C4'-P-C4' energy: -149.117
flat angles P-C4'-P energy: -102.244
tors. eta vs tors. theta energy: -187.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2100.522971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.522971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.522971 (E_RNA)
where:
Base-Base interactions energy: -1431.503
where: short stacking energy: -616.634
Base-Backbone interact. energy: -6.410
local terms energy: -662.609000
where:
bonds (distance) C4'-P energy: -117.481
bonds (distance) P-C4' energy: -140.253
flat angles C4'-P-C4' energy: -138.066
flat angles P-C4'-P energy: -102.206
tors. eta vs tors. theta energy: -164.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1991.609856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.609856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.609856 (E_RNA)
where:
Base-Base interactions energy: -1387.310
where: short stacking energy: -567.202
Base-Backbone interact. energy: -0.927
local terms energy: -603.373352
where:
bonds (distance) C4'-P energy: -129.383
bonds (distance) P-C4' energy: -121.978
flat angles C4'-P-C4' energy: -127.798
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -149.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1840.254781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.254781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.254781 (E_RNA)
where:
Base-Base interactions energy: -1245.717
where: short stacking energy: -548.006
Base-Backbone interact. energy: 1.432
local terms energy: -595.969647
where:
bonds (distance) C4'-P energy: -112.991
bonds (distance) P-C4' energy: -132.051
flat angles C4'-P-C4' energy: -134.850
flat angles P-C4'-P energy: -72.170
tors. eta vs tors. theta energy: -143.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1776.444718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.444718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.444718 (E_RNA)
where:
Base-Base interactions energy: -1187.765
where: short stacking energy: -513.008
Base-Backbone interact. energy: 1.136
local terms energy: -589.816585
where:
bonds (distance) C4'-P energy: -110.818
bonds (distance) P-C4' energy: -125.551
flat angles C4'-P-C4' energy: -127.147
flat angles P-C4'-P energy: -90.056
tors. eta vs tors. theta energy: -136.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1637.779468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.779468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.779468 (E_RNA)
where:
Base-Base interactions energy: -1067.000
where: short stacking energy: -460.931
Base-Backbone interact. energy: -1.868
local terms energy: -568.911947
where:
bonds (distance) C4'-P energy: -108.871
bonds (distance) P-C4' energy: -124.099
flat angles C4'-P-C4' energy: -125.813
flat angles P-C4'-P energy: -92.094
tors. eta vs tors. theta energy: -118.034
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: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1328.211742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.211742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.211742 (E_RNA)
where:
Base-Base interactions energy: -850.998
where: short stacking energy: -407.355
Base-Backbone interact. energy: -2.535
local terms energy: -474.678839
where:
bonds (distance) C4'-P energy: -114.984
bonds (distance) P-C4' energy: -106.122
flat angles C4'-P-C4' energy: -105.089
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -75.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -960.249189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.249189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.249189 (E_RNA)
where:
Base-Base interactions energy: -531.620
where: short stacking energy: -268.500
Base-Backbone interact. energy: -1.252
local terms energy: -427.377402
where:
bonds (distance) C4'-P energy: -127.518
bonds (distance) P-C4' energy: -102.949
flat angles C4'-P-C4' energy: -101.954
flat angles P-C4'-P energy: -63.005
tors. eta vs tors. theta energy: -31.952
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: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -875.541087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.541087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.541087 (E_RNA)
where:
Base-Base interactions energy: -498.336
where: short stacking energy: -256.679
Base-Backbone interact. energy: -0.015
local terms energy: -377.189785
where:
bonds (distance) C4'-P energy: -93.205
bonds (distance) P-C4' energy: -98.441
flat angles C4'-P-C4' energy: -107.869
flat angles P-C4'-P energy: -50.287
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -625.923127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.923127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.923127 (E_RNA)
where:
Base-Base interactions energy: -256.538
where: short stacking energy: -189.928
Base-Backbone interact. energy: 2.894
local terms energy: -372.279536
where:
bonds (distance) C4'-P energy: -110.270
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -106.714
flat angles P-C4'-P energy: -53.915
tors. eta vs tors. theta energy: 2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2259.091014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.091014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.091014 (E_RNA)
where:
Base-Base interactions energy: -1573.287
where: short stacking energy: -654.977
Base-Backbone interact. energy: -1.587
local terms energy: -684.216750
where:
bonds (distance) C4'-P energy: -128.885
bonds (distance) P-C4' energy: -124.193
flat angles C4'-P-C4' energy: -148.753
flat angles P-C4'-P energy: -95.543
tors. eta vs tors. theta energy: -186.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2084.124184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.124184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.124184 (E_RNA)
where:
Base-Base interactions energy: -1431.135
where: short stacking energy: -616.837
Base-Backbone interact. energy: 0.066
local terms energy: -653.055151
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -121.922
flat angles C4'-P-C4' energy: -142.610
flat angles P-C4'-P energy: -92.174
tors. eta vs tors. theta energy: -162.487
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: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2027.474182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.474182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.474182 (E_RNA)
where:
Base-Base interactions energy: -1395.326
where: short stacking energy: -578.894
Base-Backbone interact. energy: -1.646
local terms energy: -630.502268
where:
bonds (distance) C4'-P energy: -133.376
bonds (distance) P-C4' energy: -121.501
flat angles C4'-P-C4' energy: -142.809
flat angles P-C4'-P energy: -81.966
tors. eta vs tors. theta energy: -150.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1884.825113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.825113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.825113 (E_RNA)
where:
Base-Base interactions energy: -1221.141
where: short stacking energy: -560.157
Base-Backbone interact. energy: -4.536
local terms energy: -659.147997
where:
bonds (distance) C4'-P energy: -130.715
bonds (distance) P-C4' energy: -135.810
flat angles C4'-P-C4' energy: -143.682
flat angles P-C4'-P energy: -85.431
tors. eta vs tors. theta energy: -163.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1759.889498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.889498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.889498 (E_RNA)
where:
Base-Base interactions energy: -1185.647
where: short stacking energy: -513.437
Base-Backbone interact. energy: -1.661
local terms energy: -572.581389
where:
bonds (distance) C4'-P energy: -111.484
bonds (distance) P-C4' energy: -116.352
flat angles C4'-P-C4' energy: -127.754
flat angles P-C4'-P energy: -86.712
tors. eta vs tors. theta energy: -130.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1658.773324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.773324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.773324 (E_RNA)
where:
Base-Base interactions energy: -1107.392
where: short stacking energy: -474.607
Base-Backbone interact. energy: -0.930
local terms energy: -550.451958
where:
bonds (distance) C4'-P energy: -106.612
bonds (distance) P-C4' energy: -123.237
flat angles C4'-P-C4' energy: -129.374
flat angles P-C4'-P energy: -70.865
tors. eta vs tors. theta energy: -120.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1391.329884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.329884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.329884 (E_RNA)
where:
Base-Base interactions energy: -908.408
where: short stacking energy: -401.981
Base-Backbone interact. energy: -4.675
local terms energy: -478.247448
where:
bonds (distance) C4'-P energy: -92.407
bonds (distance) P-C4' energy: -115.901
flat angles C4'-P-C4' energy: -124.173
flat angles P-C4'-P energy: -77.966
tors. eta vs tors. theta energy: -67.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -913.886527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.886527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.886527 (E_RNA)
where:
Base-Base interactions energy: -527.515
where: short stacking energy: -283.145
Base-Backbone interact. energy: 2.100
local terms energy: -388.472231
where:
bonds (distance) C4'-P energy: -88.828
bonds (distance) P-C4' energy: -132.281
flat angles C4'-P-C4' energy: -94.354
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: -28.811
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: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -856.813461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.813461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.813461 (E_RNA)
where:
Base-Base interactions energy: -457.259
where: short stacking energy: -232.464
Base-Backbone interact. energy: -1.247
local terms energy: -398.307675
where:
bonds (distance) C4'-P energy: -110.899
bonds (distance) P-C4' energy: -106.481
flat angles C4'-P-C4' energy: -86.146
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -23.578
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -647.355014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.355014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.355014 (E_RNA)
where:
Base-Base interactions energy: -321.576
where: short stacking energy: -176.982
Base-Backbone interact. energy: -2.895
local terms energy: -322.884249
where:
bonds (distance) C4'-P energy: -96.238
bonds (distance) P-C4' energy: -106.298
flat angles C4'-P-C4' energy: -100.443
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: 16.340
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2263.703188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.703188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.703188 (E_RNA)
where:
Base-Base interactions energy: -1559.592
where: short stacking energy: -668.143
Base-Backbone interact. energy: -0.893
local terms energy: -703.217659
where:
bonds (distance) C4'-P energy: -131.300
bonds (distance) P-C4' energy: -134.945
flat angles C4'-P-C4' energy: -151.681
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -190.991
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: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2123.600344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.600344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.600344 (E_RNA)
where:
Base-Base interactions energy: -1466.419
where: short stacking energy: -621.361
Base-Backbone interact. energy: -0.753
local terms energy: -656.428112
where:
bonds (distance) C4'-P energy: -127.378
bonds (distance) P-C4' energy: -132.655
flat angles C4'-P-C4' energy: -150.013
flat angles P-C4'-P energy: -85.564
tors. eta vs tors. theta energy: -160.819
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: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2042.231379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.231379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.231379 (E_RNA)
where:
Base-Base interactions energy: -1393.099
where: short stacking energy: -617.061
Base-Backbone interact. energy: 1.068
local terms energy: -650.200180
where:
bonds (distance) C4'-P energy: -124.506
bonds (distance) P-C4' energy: -119.604
flat angles C4'-P-C4' energy: -136.931
flat angles P-C4'-P energy: -103.863
tors. eta vs tors. theta energy: -165.295
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1867.280817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.280817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.280817 (E_RNA)
where:
Base-Base interactions energy: -1253.997
where: short stacking energy: -572.780
Base-Backbone interact. energy: -1.970
local terms energy: -611.313411
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -131.632
flat angles P-C4'-P energy: -80.168
tors. eta vs tors. theta energy: -155.545
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: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1811.126318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.126318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.126318 (E_RNA)
where:
Base-Base interactions energy: -1209.079
where: short stacking energy: -534.013
Base-Backbone interact. energy: -0.211
local terms energy: -601.835462
where:
bonds (distance) C4'-P energy: -124.570
bonds (distance) P-C4' energy: -108.947
flat angles C4'-P-C4' energy: -130.771
flat angles P-C4'-P energy: -79.609
tors. eta vs tors. theta energy: -157.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1662.528774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.528774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.528774 (E_RNA)
where:
Base-Base interactions energy: -1116.061
where: short stacking energy: -478.001
Base-Backbone interact. energy: 5.385
local terms energy: -551.853303
where:
bonds (distance) C4'-P energy: -102.486
bonds (distance) P-C4' energy: -127.211
flat angles C4'-P-C4' energy: -123.629
flat angles P-C4'-P energy: -76.514
tors. eta vs tors. theta energy: -122.013
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: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1396.785480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.785480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.785480 (E_RNA)
where:
Base-Base interactions energy: -865.345
where: short stacking energy: -410.413
Base-Backbone interact. energy: -2.326
local terms energy: -529.114316
where:
bonds (distance) C4'-P energy: -111.429
bonds (distance) P-C4' energy: -122.902
flat angles C4'-P-C4' energy: -132.886
flat angles P-C4'-P energy: -67.613
tors. eta vs tors. theta energy: -94.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -874.429184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.429184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.429184 (E_RNA)
where:
Base-Base interactions energy: -446.519
where: short stacking energy: -250.463
Base-Backbone interact. energy: -2.942
local terms energy: -424.968515
where:
bonds (distance) C4'-P energy: -104.128
bonds (distance) P-C4' energy: -103.565
flat angles C4'-P-C4' energy: -121.717
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -858.542662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.542662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.542662 (E_RNA)
where:
Base-Base interactions energy: -476.172
where: short stacking energy: -251.029
Base-Backbone interact. energy: -1.862
local terms energy: -380.508882
where:
bonds (distance) C4'-P energy: -111.944
bonds (distance) P-C4' energy: -97.230
flat angles C4'-P-C4' energy: -103.694
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -609.503907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.503907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.503907 (E_RNA)
where:
Base-Base interactions energy: -286.431
where: short stacking energy: -220.071
Base-Backbone interact. energy: 8.382
local terms energy: -331.455078
where:
bonds (distance) C4'-P energy: -101.246
bonds (distance) P-C4' energy: -96.657
flat angles C4'-P-C4' energy: -102.264
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2280.263298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.263298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.263298 (E_RNA)
where:
Base-Base interactions energy: -1583.856
where: short stacking energy: -643.682
Base-Backbone interact. energy: -2.613
local terms energy: -693.793991
where:
bonds (distance) C4'-P energy: -118.791
bonds (distance) P-C4' energy: -130.157
flat angles C4'-P-C4' energy: -158.668
flat angles P-C4'-P energy: -99.057
tors. eta vs tors. theta energy: -187.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2126.279576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.279576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.279576 (E_RNA)
where:
Base-Base interactions energy: -1472.942
where: short stacking energy: -592.523
Base-Backbone interact. energy: 0.234
local terms energy: -653.572318
where:
bonds (distance) C4'-P energy: -110.197
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -150.634
flat angles P-C4'-P energy: -89.386
tors. eta vs tors. theta energy: -167.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2013.799013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.799013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.799013 (E_RNA)
where:
Base-Base interactions energy: -1393.350
where: short stacking energy: -604.737
Base-Backbone interact. energy: 0.010
local terms energy: -620.459628
where:
bonds (distance) C4'-P energy: -104.391
bonds (distance) P-C4' energy: -132.712
flat angles C4'-P-C4' energy: -136.190
flat angles P-C4'-P energy: -87.525
tors. eta vs tors. theta energy: -159.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1876.276912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.276912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.276912 (E_RNA)
where:
Base-Base interactions energy: -1257.424
where: short stacking energy: -597.433
Base-Backbone interact. energy: -1.984
local terms energy: -616.868961
where:
bonds (distance) C4'-P energy: -110.402
bonds (distance) P-C4' energy: -122.251
flat angles C4'-P-C4' energy: -136.133
flat angles P-C4'-P energy: -78.814
tors. eta vs tors. theta energy: -169.269
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: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1810.365138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.365138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.365138 (E_RNA)
where:
Base-Base interactions energy: -1203.014
where: short stacking energy: -501.236
Base-Backbone interact. energy: -2.230
local terms energy: -605.120396
where:
bonds (distance) C4'-P energy: -124.159
bonds (distance) P-C4' energy: -134.696
flat angles C4'-P-C4' energy: -120.380
flat angles P-C4'-P energy: -82.568
tors. eta vs tors. theta energy: -143.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1577.609801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.609801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.609801 (E_RNA)
where:
Base-Base interactions energy: -1023.570
where: short stacking energy: -451.699
Base-Backbone interact. energy: -0.044
local terms energy: -553.995267
where:
bonds (distance) C4'-P energy: -110.507
bonds (distance) P-C4' energy: -122.902
flat angles C4'-P-C4' energy: -136.162
flat angles P-C4'-P energy: -63.965
tors. eta vs tors. theta energy: -120.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1385.439665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.439665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.439665 (E_RNA)
where:
Base-Base interactions energy: -918.582
where: short stacking energy: -390.895
Base-Backbone interact. energy: -3.630
local terms energy: -463.227187
where:
bonds (distance) C4'-P energy: -91.297
bonds (distance) P-C4' energy: -118.405
flat angles C4'-P-C4' energy: -107.214
flat angles P-C4'-P energy: -64.571
tors. eta vs tors. theta energy: -81.740
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: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1029.205548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.205548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.205548 (E_RNA)
where:
Base-Base interactions energy: -600.327
where: short stacking energy: -304.802
Base-Backbone interact. energy: 0.244
local terms energy: -429.122238
where:
bonds (distance) C4'-P energy: -99.757
bonds (distance) P-C4' energy: -119.474
flat angles C4'-P-C4' energy: -99.086
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: -40.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -857.251243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.251243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.251243 (E_RNA)
where:
Base-Base interactions energy: -450.225
where: short stacking energy: -254.167
Base-Backbone interact. energy: -0.389
local terms energy: -406.637054
where:
bonds (distance) C4'-P energy: -92.082
bonds (distance) P-C4' energy: -114.793
flat angles C4'-P-C4' energy: -108.288
flat angles P-C4'-P energy: -55.252
tors. eta vs tors. theta energy: -36.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -623.161504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.161504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.161504 (E_RNA)
where:
Base-Base interactions energy: -294.238
where: short stacking energy: -184.188
Base-Backbone interact. energy: 0.098
local terms energy: -329.022326
where:
bonds (distance) C4'-P energy: -108.248
bonds (distance) P-C4' energy: -112.112
flat angles C4'-P-C4' energy: -90.192
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: 26.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2278.022623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.022623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.022623 (E_RNA)
where:
Base-Base interactions energy: -1549.201
where: short stacking energy: -664.613
Base-Backbone interact. energy: -4.140
local terms energy: -724.680810
where:
bonds (distance) C4'-P energy: -132.897
bonds (distance) P-C4' energy: -137.894
flat angles C4'-P-C4' energy: -148.159
flat angles P-C4'-P energy: -107.915
tors. eta vs tors. theta energy: -197.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2102.132657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.132657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.132657 (E_RNA)
where:
Base-Base interactions energy: -1444.919
where: short stacking energy: -634.666
Base-Backbone interact. energy: -7.347
local terms energy: -649.867065
where:
bonds (distance) C4'-P energy: -127.137
bonds (distance) P-C4' energy: -132.086
flat angles C4'-P-C4' energy: -135.391
flat angles P-C4'-P energy: -87.833
tors. eta vs tors. theta energy: -167.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2009.732724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.732724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.732724 (E_RNA)
where:
Base-Base interactions energy: -1410.344
where: short stacking energy: -582.016
Base-Backbone interact. energy: -0.581
local terms energy: -598.807755
where:
bonds (distance) C4'-P energy: -109.984
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -140.371
flat angles P-C4'-P energy: -76.895
tors. eta vs tors. theta energy: -145.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1839.654220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.654220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.654220 (E_RNA)
where:
Base-Base interactions energy: -1227.505
where: short stacking energy: -532.743
Base-Backbone interact. energy: -3.082
local terms energy: -609.067312
where:
bonds (distance) C4'-P energy: -126.855
bonds (distance) P-C4' energy: -119.469
flat angles C4'-P-C4' energy: -134.962
flat angles P-C4'-P energy: -81.364
tors. eta vs tors. theta energy: -146.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1786.358449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.358449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.358449 (E_RNA)
where:
Base-Base interactions energy: -1206.215
where: short stacking energy: -517.956
Base-Backbone interact. energy: -1.107
local terms energy: -579.036032
where:
bonds (distance) C4'-P energy: -100.593
bonds (distance) P-C4' energy: -128.299
flat angles C4'-P-C4' energy: -131.269
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -127.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1614.791567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.791567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.791567 (E_RNA)
where:
Base-Base interactions energy: -1071.566
where: short stacking energy: -448.245
Base-Backbone interact. energy: 2.279
local terms energy: -545.504878
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -129.877
flat angles C4'-P-C4' energy: -123.749
flat angles P-C4'-P energy: -78.930
tors. eta vs tors. theta energy: -99.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1329.383464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.383464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.383464 (E_RNA)
where:
Base-Base interactions energy: -837.377
where: short stacking energy: -386.426
Base-Backbone interact. energy: -3.851
local terms energy: -488.155087
where:
bonds (distance) C4'-P energy: -101.392
bonds (distance) P-C4' energy: -127.742
flat angles C4'-P-C4' energy: -118.233
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -83.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1112.456150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.456150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.456150 (E_RNA)
where:
Base-Base interactions energy: -659.814
where: short stacking energy: -324.743
Base-Backbone interact. energy: -2.183
local terms energy: -450.459593
where:
bonds (distance) C4'-P energy: -104.054
bonds (distance) P-C4' energy: -111.190
flat angles C4'-P-C4' energy: -107.509
flat angles P-C4'-P energy: -71.570
tors. eta vs tors. theta energy: -56.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -766.366900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.366900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.366900 (E_RNA)
where:
Base-Base interactions energy: -400.778
where: short stacking energy: -253.746
Base-Backbone interact. energy: 0.889
local terms energy: -366.477920
where:
bonds (distance) C4'-P energy: -95.293
bonds (distance) P-C4' energy: -119.550
flat angles C4'-P-C4' energy: -102.307
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -4.747
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: 83
Temperature: 1.350000
Total energy: -656.941763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.941763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.941763 (E_RNA)
where:
Base-Base interactions energy: -300.495
where: short stacking energy: -183.657
Base-Backbone interact. energy: 0.911
local terms energy: -357.358155
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -104.487
flat angles C4'-P-C4' energy: -79.746
flat angles P-C4'-P energy: -54.438
tors. eta vs tors. theta energy: 2.378
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: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2266.841769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.841769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.841769 (E_RNA)
where:
Base-Base interactions energy: -1560.388
where: short stacking energy: -649.557
Base-Backbone interact. energy: -7.105
local terms energy: -699.349345
where:
bonds (distance) C4'-P energy: -126.602
bonds (distance) P-C4' energy: -114.438
flat angles C4'-P-C4' energy: -157.755
flat angles P-C4'-P energy: -107.045
tors. eta vs tors. theta energy: -193.509
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: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2108.208594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.208594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.208594 (E_RNA)
where:
Base-Base interactions energy: -1439.306
where: short stacking energy: -605.081
Base-Backbone interact. energy: -5.735
local terms energy: -663.168310
where:
bonds (distance) C4'-P energy: -124.567
bonds (distance) P-C4' energy: -132.433
flat angles C4'-P-C4' energy: -149.712
flat angles P-C4'-P energy: -97.089
tors. eta vs tors. theta energy: -159.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2030.925956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.925956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.925956 (E_RNA)
where:
Base-Base interactions energy: -1413.142
where: short stacking energy: -565.319
Base-Backbone interact. energy: -0.013
local terms energy: -617.770765
where:
bonds (distance) C4'-P energy: -114.622
bonds (distance) P-C4' energy: -132.257
flat angles C4'-P-C4' energy: -136.365
flat angles P-C4'-P energy: -88.983
tors. eta vs tors. theta energy: -145.545
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: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1848.102299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.102299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.102299 (E_RNA)
where:
Base-Base interactions energy: -1270.765
where: short stacking energy: -530.105
Base-Backbone interact. energy: -2.498
local terms energy: -574.839469
where:
bonds (distance) C4'-P energy: -103.046
bonds (distance) P-C4' energy: -117.038
flat angles C4'-P-C4' energy: -127.392
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -138.185
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1824.140897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.140897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.140897 (E_RNA)
where:
Base-Base interactions energy: -1222.438
where: short stacking energy: -519.438
Base-Backbone interact. energy: -4.229
local terms energy: -597.473348
where:
bonds (distance) C4'-P energy: -114.900
bonds (distance) P-C4' energy: -126.796
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -77.017
tors. eta vs tors. theta energy: -135.208
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: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1628.528564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.528564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.528564 (E_RNA)
where:
Base-Base interactions energy: -1099.649
where: short stacking energy: -462.800
Base-Backbone interact. energy: -1.783
local terms energy: -527.096533
where:
bonds (distance) C4'-P energy: -113.308
bonds (distance) P-C4' energy: -104.792
flat angles C4'-P-C4' energy: -120.377
flat angles P-C4'-P energy: -65.762
tors. eta vs tors. theta energy: -122.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1338.465424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.465424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.465424 (E_RNA)
where:
Base-Base interactions energy: -844.179
where: short stacking energy: -354.421
Base-Backbone interact. energy: -2.999
local terms energy: -491.286850
where:
bonds (distance) C4'-P energy: -103.364
bonds (distance) P-C4' energy: -124.029
flat angles C4'-P-C4' energy: -124.282
flat angles P-C4'-P energy: -83.484
tors. eta vs tors. theta energy: -56.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1140.292528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.292528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.292528 (E_RNA)
where:
Base-Base interactions energy: -687.757
where: short stacking energy: -325.693
Base-Backbone interact. energy: -0.263
local terms energy: -452.271677
where:
bonds (distance) C4'-P energy: -100.926
bonds (distance) P-C4' energy: -110.791
flat angles C4'-P-C4' energy: -110.933
flat angles P-C4'-P energy: -63.955
tors. eta vs tors. theta energy: -65.667
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: 84
Temperature: 1.300000
Total energy: -749.204420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.204420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.204420 (E_RNA)
where:
Base-Base interactions energy: -362.035
where: short stacking energy: -212.469
Base-Backbone interact. energy: 5.550
local terms energy: -392.719916
where:
bonds (distance) C4'-P energy: -105.416
bonds (distance) P-C4' energy: -104.107
flat angles C4'-P-C4' energy: -110.055
flat angles P-C4'-P energy: -66.366
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -670.935194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.935194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.935194 (E_RNA)
where:
Base-Base interactions energy: -311.051
where: short stacking energy: -179.662
Base-Backbone interact. energy: -1.871
local terms energy: -358.013306
where:
bonds (distance) C4'-P energy: -114.387
bonds (distance) P-C4' energy: -101.842
flat angles C4'-P-C4' energy: -96.041
flat angles P-C4'-P energy: -52.270
tors. eta vs tors. theta energy: 6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2251.789755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.789755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.789755 (E_RNA)
where:
Base-Base interactions energy: -1566.141
where: short stacking energy: -654.071
Base-Backbone interact. energy: -2.578
local terms energy: -683.070542
where:
bonds (distance) C4'-P energy: -125.608
bonds (distance) P-C4' energy: -135.684
flat angles C4'-P-C4' energy: -153.095
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -183.636
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2140.664620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.664620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.664620 (E_RNA)
where:
Base-Base interactions energy: -1498.940
where: short stacking energy: -642.049
Base-Backbone interact. energy: -2.798
local terms energy: -638.926738
where:
bonds (distance) C4'-P energy: -130.198
bonds (distance) P-C4' energy: -130.092
flat angles C4'-P-C4' energy: -137.610
flat angles P-C4'-P energy: -72.609
tors. eta vs tors. theta energy: -168.418
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: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2020.620707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.620707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.620707 (E_RNA)
where:
Base-Base interactions energy: -1391.191
where: short stacking energy: -536.515
Base-Backbone interact. energy: -2.408
local terms energy: -627.021383
where:
bonds (distance) C4'-P energy: -130.686
bonds (distance) P-C4' energy: -139.342
flat angles C4'-P-C4' energy: -127.330
flat angles P-C4'-P energy: -85.750
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: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1889.253568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.253568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.253568 (E_RNA)
where:
Base-Base interactions energy: -1256.181
where: short stacking energy: -572.308
Base-Backbone interact. energy: -3.547
local terms energy: -629.525905
where:
bonds (distance) C4'-P energy: -123.955
bonds (distance) P-C4' energy: -127.366
flat angles C4'-P-C4' energy: -139.593
flat angles P-C4'-P energy: -85.185
tors. eta vs tors. theta energy: -153.426
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: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1801.046321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.046321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.046321 (E_RNA)
where:
Base-Base interactions energy: -1205.383
where: short stacking energy: -548.911
Base-Backbone interact. energy: 2.708
local terms energy: -598.371552
where:
bonds (distance) C4'-P energy: -114.110
bonds (distance) P-C4' energy: -113.341
flat angles C4'-P-C4' energy: -132.984
flat angles P-C4'-P energy: -92.619
tors. eta vs tors. theta energy: -145.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1617.197968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.197968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.197968 (E_RNA)
where:
Base-Base interactions energy: -1080.434
where: short stacking energy: -504.657
Base-Backbone interact. energy: -0.754
local terms energy: -536.010004
where:
bonds (distance) C4'-P energy: -104.684
bonds (distance) P-C4' energy: -126.421
flat angles C4'-P-C4' energy: -118.509
flat angles P-C4'-P energy: -71.676
tors. eta vs tors. theta energy: -114.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1323.523677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.523677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.523677 (E_RNA)
where:
Base-Base interactions energy: -848.899
where: short stacking energy: -378.598
Base-Backbone interact. energy: -2.654
local terms energy: -471.970575
where:
bonds (distance) C4'-P energy: -105.166
bonds (distance) P-C4' energy: -114.731
flat angles C4'-P-C4' energy: -128.013
flat angles P-C4'-P energy: -59.654
tors. eta vs tors. theta energy: -64.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1035.215563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.215563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.215563 (E_RNA)
where:
Base-Base interactions energy: -634.619
where: short stacking energy: -307.304
Base-Backbone interact. energy: -2.612
local terms energy: -397.984829
where:
bonds (distance) C4'-P energy: -107.548
bonds (distance) P-C4' energy: -124.061
flat angles C4'-P-C4' energy: -108.328
flat angles P-C4'-P energy: -45.649
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -761.422538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.422538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.422538 (E_RNA)
where:
Base-Base interactions energy: -371.359
where: short stacking energy: -228.963
Base-Backbone interact. energy: 1.534
local terms energy: -391.597606
where:
bonds (distance) C4'-P energy: -97.712
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -105.087
flat angles P-C4'-P energy: -58.358
tors. eta vs tors. theta energy: -15.282
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: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -678.093405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.093405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.093405 (E_RNA)
where:
Base-Base interactions energy: -318.539
where: short stacking energy: -174.384
Base-Backbone interact. energy: 1.542
local terms energy: -361.096839
where:
bonds (distance) C4'-P energy: -113.815
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -91.517
flat angles P-C4'-P energy: -54.787
tors. eta vs tors. theta energy: 10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2246.021731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.021731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.021731 (E_RNA)
where:
Base-Base interactions energy: -1533.170
where: short stacking energy: -635.087
Base-Backbone interact. energy: -4.314
local terms energy: -708.537385
where:
bonds (distance) C4'-P energy: -132.068
bonds (distance) P-C4' energy: -130.199
flat angles C4'-P-C4' energy: -156.516
flat angles P-C4'-P energy: -94.636
tors. eta vs tors. theta energy: -195.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2121.463042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.463042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.463042 (E_RNA)
where:
Base-Base interactions energy: -1464.320
where: short stacking energy: -627.294
Base-Backbone interact. energy: -0.660
local terms energy: -656.482479
where:
bonds (distance) C4'-P energy: -122.737
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -138.494
flat angles P-C4'-P energy: -98.235
tors. eta vs tors. theta energy: -171.479
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: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2009.087297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.087297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.087297 (E_RNA)
where:
Base-Base interactions energy: -1388.526
where: short stacking energy: -563.970
Base-Backbone interact. energy: -1.452
local terms energy: -619.109199
where:
bonds (distance) C4'-P energy: -130.401
bonds (distance) P-C4' energy: -124.734
flat angles C4'-P-C4' energy: -120.648
flat angles P-C4'-P energy: -91.214
tors. eta vs tors. theta energy: -152.112
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: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1877.125399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.125399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.125399 (E_RNA)
where:
Base-Base interactions energy: -1232.612
where: short stacking energy: -545.815
Base-Backbone interact. energy: 1.899
local terms energy: -646.412388
where:
bonds (distance) C4'-P energy: -132.781
bonds (distance) P-C4' energy: -134.058
flat angles C4'-P-C4' energy: -126.935
flat angles P-C4'-P energy: -97.241
tors. eta vs tors. theta energy: -155.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1814.539869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.539869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.539869 (E_RNA)
where:
Base-Base interactions energy: -1212.671
where: short stacking energy: -501.836
Base-Backbone interact. energy: -0.288
local terms energy: -601.580859
where:
bonds (distance) C4'-P energy: -119.611
bonds (distance) P-C4' energy: -124.368
flat angles C4'-P-C4' energy: -129.984
flat angles P-C4'-P energy: -84.934
tors. eta vs tors. theta energy: -142.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1575.269886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.269886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.269886 (E_RNA)
where:
Base-Base interactions energy: -1042.351
where: short stacking energy: -460.754
Base-Backbone interact. energy: -4.404
local terms energy: -528.514569
where:
bonds (distance) C4'-P energy: -101.262
bonds (distance) P-C4' energy: -112.463
flat angles C4'-P-C4' energy: -122.447
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -106.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1335.209176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.209176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.209176 (E_RNA)
where:
Base-Base interactions energy: -860.076
where: short stacking energy: -366.151
Base-Backbone interact. energy: 3.483
local terms energy: -478.616039
where:
bonds (distance) C4'-P energy: -99.270
bonds (distance) P-C4' energy: -130.603
flat angles C4'-P-C4' energy: -121.702
flat angles P-C4'-P energy: -54.804
tors. eta vs tors. theta energy: -72.236
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: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1072.677395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.677395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.677395 (E_RNA)
where:
Base-Base interactions energy: -631.717
where: short stacking energy: -305.573
Base-Backbone interact. energy: 0.610
local terms energy: -441.570236
where:
bonds (distance) C4'-P energy: -114.618
bonds (distance) P-C4' energy: -110.649
flat angles C4'-P-C4' energy: -117.143
flat angles P-C4'-P energy: -56.236
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -776.735704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.735704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.735704 (E_RNA)
where:
Base-Base interactions energy: -385.487
where: short stacking energy: -232.290
Base-Backbone interact. energy: -0.821
local terms energy: -390.428016
where:
bonds (distance) C4'-P energy: -104.609
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -107.176
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -28.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -668.065573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.065573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.065573 (E_RNA)
where:
Base-Base interactions energy: -317.485
where: short stacking energy: -211.793
Base-Backbone interact. energy: 1.704
local terms energy: -352.283888
where:
bonds (distance) C4'-P energy: -99.055
bonds (distance) P-C4' energy: -117.195
flat angles C4'-P-C4' energy: -94.373
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: 6.842
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: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2252.714076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.714076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.714076 (E_RNA)
where:
Base-Base interactions energy: -1560.361
where: short stacking energy: -646.155
Base-Backbone interact. energy: -5.853
local terms energy: -686.500021
where:
bonds (distance) C4'-P energy: -115.985
bonds (distance) P-C4' energy: -132.006
flat angles C4'-P-C4' energy: -151.805
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -188.891
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: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2150.557280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.557280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.557280 (E_RNA)
where:
Base-Base interactions energy: -1485.653
where: short stacking energy: -632.952
Base-Backbone interact. energy: -2.439
local terms energy: -662.465284
where:
bonds (distance) C4'-P energy: -118.533
bonds (distance) P-C4' energy: -135.408
flat angles C4'-P-C4' energy: -150.841
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -177.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2033.845240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.845240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.845240 (E_RNA)
where:
Base-Base interactions energy: -1394.012
where: short stacking energy: -582.795
Base-Backbone interact. energy: -2.043
local terms energy: -637.789912
where:
bonds (distance) C4'-P energy: -127.478
bonds (distance) P-C4' energy: -122.769
flat angles C4'-P-C4' energy: -143.463
flat angles P-C4'-P energy: -86.132
tors. eta vs tors. theta energy: -157.948
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: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1867.497996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.497996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.497996 (E_RNA)
where:
Base-Base interactions energy: -1258.486
where: short stacking energy: -571.929
Base-Backbone interact. energy: -1.811
local terms energy: -607.200731
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -136.944
flat angles C4'-P-C4' energy: -125.395
flat angles P-C4'-P energy: -75.702
tors. eta vs tors. theta energy: -158.074
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: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1810.336885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.336885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.336885 (E_RNA)
where:
Base-Base interactions energy: -1223.916
where: short stacking energy: -519.254
Base-Backbone interact. energy: 0.073
local terms energy: -586.493834
where:
bonds (distance) C4'-P energy: -114.756
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -126.014
flat angles P-C4'-P energy: -82.963
tors. eta vs tors. theta energy: -144.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1587.227077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.227077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.227077 (E_RNA)
where:
Base-Base interactions energy: -1036.328
where: short stacking energy: -442.623
Base-Backbone interact. energy: -3.984
local terms energy: -546.915629
where:
bonds (distance) C4'-P energy: -125.300
bonds (distance) P-C4' energy: -103.133
flat angles C4'-P-C4' energy: -127.396
flat angles P-C4'-P energy: -92.550
tors. eta vs tors. theta energy: -98.536
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1285.452114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.452114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.452114 (E_RNA)
where:
Base-Base interactions energy: -820.881
where: short stacking energy: -380.937
Base-Backbone interact. energy: 0.063
local terms energy: -464.633901
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -104.233
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -81.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1075.104962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.104962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.104962 (E_RNA)
where:
Base-Base interactions energy: -641.798
where: short stacking energy: -325.743
Base-Backbone interact. energy: -0.270
local terms energy: -433.037339
where:
bonds (distance) C4'-P energy: -89.522
bonds (distance) P-C4' energy: -100.843
flat angles C4'-P-C4' energy: -111.605
flat angles P-C4'-P energy: -79.807
tors. eta vs tors. theta energy: -51.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -763.121808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.121808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.121808 (E_RNA)
where:
Base-Base interactions energy: -396.052
where: short stacking energy: -252.539
Base-Backbone interact. energy: 6.328
local terms energy: -373.398734
where:
bonds (distance) C4'-P energy: -97.831
bonds (distance) P-C4' energy: -115.407
flat angles C4'-P-C4' energy: -97.976
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: -4.337
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: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -678.315959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.315959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.315959 (E_RNA)
where:
Base-Base interactions energy: -356.405
where: short stacking energy: -176.787
Base-Backbone interact. energy: -2.958
local terms energy: -318.953378
where:
bonds (distance) C4'-P energy: -84.867
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -104.077
flat angles P-C4'-P energy: -49.572
tors. eta vs tors. theta energy: 18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2285.467480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.467480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.467480 (E_RNA)
where:
Base-Base interactions energy: -1581.653
where: short stacking energy: -652.555
Base-Backbone interact. energy: -6.419
local terms energy: -697.395323
where:
bonds (distance) C4'-P energy: -131.610
bonds (distance) P-C4' energy: -134.560
flat angles C4'-P-C4' energy: -151.575
flat angles P-C4'-P energy: -85.081
tors. eta vs tors. theta energy: -194.568
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: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2140.814172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.814172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.814172 (E_RNA)
where:
Base-Base interactions energy: -1457.550
where: short stacking energy: -621.829
Base-Backbone interact. energy: -1.779
local terms energy: -681.484933
where:
bonds (distance) C4'-P energy: -131.379
bonds (distance) P-C4' energy: -129.984
flat angles C4'-P-C4' energy: -146.520
flat angles P-C4'-P energy: -103.947
tors. eta vs tors. theta energy: -169.655
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2013.614432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.614432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.614432 (E_RNA)
where:
Base-Base interactions energy: -1373.385
where: short stacking energy: -580.051
Base-Backbone interact. energy: -5.015
local terms energy: -635.214765
where:
bonds (distance) C4'-P energy: -114.231
bonds (distance) P-C4' energy: -134.565
flat angles C4'-P-C4' energy: -140.316
flat angles P-C4'-P energy: -89.829
tors. eta vs tors. theta energy: -156.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1933.155926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.155926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.155926 (E_RNA)
where:
Base-Base interactions energy: -1319.408
where: short stacking energy: -551.007
Base-Backbone interact. energy: -4.623
local terms energy: -609.124853
where:
bonds (distance) C4'-P energy: -118.375
bonds (distance) P-C4' energy: -132.083
flat angles C4'-P-C4' energy: -137.393
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -146.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1819.180754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.180754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.180754 (E_RNA)
where:
Base-Base interactions energy: -1254.255
where: short stacking energy: -533.330
Base-Backbone interact. energy: -0.156
local terms energy: -564.769825
where:
bonds (distance) C4'-P energy: -95.136
bonds (distance) P-C4' energy: -125.319
flat angles C4'-P-C4' energy: -129.324
flat angles P-C4'-P energy: -76.180
tors. eta vs tors. theta energy: -138.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1459.778946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.778946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.778946 (E_RNA)
where:
Base-Base interactions energy: -939.653
where: short stacking energy: -408.390
Base-Backbone interact. energy: 0.701
local terms energy: -520.826672
where:
bonds (distance) C4'-P energy: -118.119
bonds (distance) P-C4' energy: -125.616
flat angles C4'-P-C4' energy: -133.416
flat angles P-C4'-P energy: -61.231
tors. eta vs tors. theta energy: -82.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1339.611879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.611879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.611879 (E_RNA)
where:
Base-Base interactions energy: -865.549
where: short stacking energy: -401.919
Base-Backbone interact. energy: -1.041
local terms energy: -473.021842
where:
bonds (distance) C4'-P energy: -107.497
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -110.086
flat angles P-C4'-P energy: -64.093
tors. eta vs tors. theta energy: -71.437
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: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1063.018691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.018691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.018691 (E_RNA)
where:
Base-Base interactions energy: -631.420
where: short stacking energy: -324.007
Base-Backbone interact. energy: 5.267
local terms energy: -436.865676
where:
bonds (distance) C4'-P energy: -97.660
bonds (distance) P-C4' energy: -107.009
flat angles C4'-P-C4' energy: -112.865
flat angles P-C4'-P energy: -75.688
tors. eta vs tors. theta energy: -43.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -731.812447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.812447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.812447 (E_RNA)
where:
Base-Base interactions energy: -359.378
where: short stacking energy: -209.846
Base-Backbone interact. energy: 0.513
local terms energy: -372.946886
where:
bonds (distance) C4'-P energy: -105.534
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -102.190
flat angles P-C4'-P energy: -53.194
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -656.685019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.685019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.685019 (E_RNA)
where:
Base-Base interactions energy: -298.881
where: short stacking energy: -209.536
Base-Backbone interact. energy: 0.454
local terms energy: -358.258028
where:
bonds (distance) C4'-P energy: -97.744
bonds (distance) P-C4' energy: -120.090
flat angles C4'-P-C4' energy: -84.166
flat angles P-C4'-P energy: -48.594
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2283.218534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.218534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.218534 (E_RNA)
where:
Base-Base interactions energy: -1537.837
where: short stacking energy: -627.954
Base-Backbone interact. energy: -2.506
local terms energy: -742.875894
where:
bonds (distance) C4'-P energy: -140.406
bonds (distance) P-C4' energy: -140.080
flat angles C4'-P-C4' energy: -160.694
flat angles P-C4'-P energy: -106.163
tors. eta vs tors. theta energy: -195.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2116.657756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.657756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.657756 (E_RNA)
where:
Base-Base interactions energy: -1479.711
where: short stacking energy: -623.262
Base-Backbone interact. energy: -2.979
local terms energy: -633.967653
where:
bonds (distance) C4'-P energy: -115.906
bonds (distance) P-C4' energy: -128.822
flat angles C4'-P-C4' energy: -136.424
flat angles P-C4'-P energy: -87.856
tors. eta vs tors. theta energy: -164.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2062.406824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.406824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.406824 (E_RNA)
where:
Base-Base interactions energy: -1460.602
where: short stacking energy: -593.780
Base-Backbone interact. energy: -0.553
local terms energy: -601.252355
where:
bonds (distance) C4'-P energy: -117.246
bonds (distance) P-C4' energy: -109.539
flat angles C4'-P-C4' energy: -135.644
flat angles P-C4'-P energy: -94.757
tors. eta vs tors. theta energy: -144.066
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: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1906.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.998529 (E_RNA)
where:
Base-Base interactions energy: -1283.994
where: short stacking energy: -560.189
Base-Backbone interact. energy: -1.773
local terms energy: -621.231280
where:
bonds (distance) C4'-P energy: -133.072
bonds (distance) P-C4' energy: -104.874
flat angles C4'-P-C4' energy: -143.906
flat angles P-C4'-P energy: -82.763
tors. eta vs tors. theta energy: -156.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1794.148303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.148303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.148303 (E_RNA)
where:
Base-Base interactions energy: -1195.754
where: short stacking energy: -523.214
Base-Backbone interact. energy: -1.876
local terms energy: -596.518542
where:
bonds (distance) C4'-P energy: -103.188
bonds (distance) P-C4' energy: -126.408
flat angles C4'-P-C4' energy: -144.512
flat angles P-C4'-P energy: -78.699
tors. eta vs tors. theta energy: -143.711
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: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1589.591995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.591995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.591995 (E_RNA)
where:
Base-Base interactions energy: -1058.633
where: short stacking energy: -456.562
Base-Backbone interact. energy: 1.654
local terms energy: -532.613178
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -121.784
flat angles C4'-P-C4' energy: -116.751
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -101.871
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: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1325.083139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.083139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.083139 (E_RNA)
where:
Base-Base interactions energy: -826.855
where: short stacking energy: -382.675
Base-Backbone interact. energy: -2.389
local terms energy: -495.838991
where:
bonds (distance) C4'-P energy: -113.841
bonds (distance) P-C4' energy: -125.619
flat angles C4'-P-C4' energy: -103.967
flat angles P-C4'-P energy: -70.395
tors. eta vs tors. theta energy: -82.018
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: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1105.743258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.743258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.743258 (E_RNA)
where:
Base-Base interactions energy: -651.830
where: short stacking energy: -339.066
Base-Backbone interact. energy: 3.135
local terms energy: -457.048340
where:
bonds (distance) C4'-P energy: -109.911
bonds (distance) P-C4' energy: -112.902
flat angles C4'-P-C4' energy: -99.318
flat angles P-C4'-P energy: -64.642
tors. eta vs tors. theta energy: -70.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -757.403153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.403153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.403153 (E_RNA)
where:
Base-Base interactions energy: -395.877
where: short stacking energy: -228.837
Base-Backbone interact. energy: 1.381
local terms energy: -362.907140
where:
bonds (distance) C4'-P energy: -120.953
bonds (distance) P-C4' energy: -114.109
flat angles C4'-P-C4' energy: -94.608
flat angles P-C4'-P energy: -40.760
tors. eta vs tors. theta energy: 7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -685.770124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.770124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.770124 (E_RNA)
where:
Base-Base interactions energy: -285.948
where: short stacking energy: -189.150
Base-Backbone interact. energy: -0.057
local terms energy: -399.765268
where:
bonds (distance) C4'-P energy: -112.427
bonds (distance) P-C4' energy: -119.424
flat angles C4'-P-C4' energy: -96.491
flat angles P-C4'-P energy: -55.187
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2286.568967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.568967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.568967 (E_RNA)
where:
Base-Base interactions energy: -1553.450
where: short stacking energy: -674.920
Base-Backbone interact. energy: -4.474
local terms energy: -728.644730
where:
bonds (distance) C4'-P energy: -132.820
bonds (distance) P-C4' energy: -139.872
flat angles C4'-P-C4' energy: -150.252
flat angles P-C4'-P energy: -105.295
tors. eta vs tors. theta energy: -200.406
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: 90
Temperature: 0.950000
Total energy: -2116.359375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.359375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.359375 (E_RNA)
where:
Base-Base interactions energy: -1460.899
where: short stacking energy: -588.543
Base-Backbone interact. energy: -2.369
local terms energy: -653.090786
where:
bonds (distance) C4'-P energy: -116.972
bonds (distance) P-C4' energy: -148.927
flat angles C4'-P-C4' energy: -128.247
flat angles P-C4'-P energy: -98.084
tors. eta vs tors. theta energy: -160.861
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: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2081.702945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.702945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.702945 (E_RNA)
where:
Base-Base interactions energy: -1441.171
where: short stacking energy: -598.974
Base-Backbone interact. energy: -1.667
local terms energy: -638.864942
where:
bonds (distance) C4'-P energy: -119.459
bonds (distance) P-C4' energy: -141.866
flat angles C4'-P-C4' energy: -134.993
flat angles P-C4'-P energy: -93.237
tors. eta vs tors. theta energy: -149.310
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: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1932.007912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.007912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.007912 (E_RNA)
where:
Base-Base interactions energy: -1327.508
where: short stacking energy: -569.657
Base-Backbone interact. energy: -4.114
local terms energy: -600.386541
where:
bonds (distance) C4'-P energy: -108.484
bonds (distance) P-C4' energy: -126.430
flat angles C4'-P-C4' energy: -127.754
flat angles P-C4'-P energy: -81.736
tors. eta vs tors. theta energy: -155.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1801.497762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.497762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.497762 (E_RNA)
where:
Base-Base interactions energy: -1217.447
where: short stacking energy: -525.935
Base-Backbone interact. energy: -0.135
local terms energy: -583.914967
where:
bonds (distance) C4'-P energy: -112.139
bonds (distance) P-C4' energy: -114.054
flat angles C4'-P-C4' energy: -128.511
flat angles P-C4'-P energy: -80.750
tors. eta vs tors. theta energy: -148.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1557.126087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.126087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.126087 (E_RNA)
where:
Base-Base interactions energy: -1062.087
where: short stacking energy: -437.316
Base-Backbone interact. energy: -0.297
local terms energy: -494.741929
where:
bonds (distance) C4'-P energy: -93.571
bonds (distance) P-C4' energy: -101.996
flat angles C4'-P-C4' energy: -127.534
flat angles P-C4'-P energy: -77.677
tors. eta vs tors. theta energy: -93.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1302.051106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.051106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.051106 (E_RNA)
where:
Base-Base interactions energy: -841.826
where: short stacking energy: -371.175
Base-Backbone interact. energy: 2.255
local terms energy: -462.480495
where:
bonds (distance) C4'-P energy: -113.970
bonds (distance) P-C4' energy: -114.616
flat angles C4'-P-C4' energy: -90.757
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: -82.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1096.552328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.552328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.552328 (E_RNA)
where:
Base-Base interactions energy: -643.524
where: short stacking energy: -311.469
Base-Backbone interact. energy: -3.189
local terms energy: -449.838922
where:
bonds (distance) C4'-P energy: -103.106
bonds (distance) P-C4' energy: -113.754
flat angles C4'-P-C4' energy: -110.827
flat angles P-C4'-P energy: -72.874
tors. eta vs tors. theta energy: -49.279
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: 90
Temperature: 1.300000
Total energy: -774.422144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.422144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.422144 (E_RNA)
where:
Base-Base interactions energy: -413.880
where: short stacking energy: -246.062
Base-Backbone interact. energy: 2.401
local terms energy: -362.942325
where:
bonds (distance) C4'-P energy: -110.792
bonds (distance) P-C4' energy: -103.609
flat angles C4'-P-C4' energy: -92.556
flat angles P-C4'-P energy: -54.026
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -648.454395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.454395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.454395 (E_RNA)
where:
Base-Base interactions energy: -315.440
where: short stacking energy: -180.898
Base-Backbone interact. energy: -2.436
local terms energy: -330.578259
where:
bonds (distance) C4'-P energy: -91.615
bonds (distance) P-C4' energy: -102.721
flat angles C4'-P-C4' energy: -99.852
flat angles P-C4'-P energy: -48.789
tors. eta vs tors. theta energy: 12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2298.684877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.684877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.684877 (E_RNA)
where:
Base-Base interactions energy: -1579.668
where: short stacking energy: -647.733
Base-Backbone interact. energy: -3.517
local terms energy: -715.500456
where:
bonds (distance) C4'-P energy: -129.158
bonds (distance) P-C4' energy: -134.106
flat angles C4'-P-C4' energy: -154.965
flat angles P-C4'-P energy: -99.340
tors. eta vs tors. theta energy: -197.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2109.039898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.039898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.039898 (E_RNA)
where:
Base-Base interactions energy: -1456.318
where: short stacking energy: -628.840
Base-Backbone interact. energy: 1.816
local terms energy: -654.538842
where:
bonds (distance) C4'-P energy: -121.921
bonds (distance) P-C4' energy: -141.103
flat angles C4'-P-C4' energy: -140.135
flat angles P-C4'-P energy: -92.991
tors. eta vs tors. theta energy: -158.390
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: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2101.950383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.950383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.950383 (E_RNA)
where:
Base-Base interactions energy: -1450.543
where: short stacking energy: -628.795
Base-Backbone interact. energy: -2.620
local terms energy: -648.787501
where:
bonds (distance) C4'-P energy: -113.121
bonds (distance) P-C4' energy: -126.943
flat angles C4'-P-C4' energy: -145.768
flat angles P-C4'-P energy: -89.937
tors. eta vs tors. theta energy: -173.018
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: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1969.712614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.712614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.712614 (E_RNA)
where:
Base-Base interactions energy: -1344.755
where: short stacking energy: -584.897
Base-Backbone interact. energy: 1.615
local terms energy: -626.572897
where:
bonds (distance) C4'-P energy: -138.212
bonds (distance) P-C4' energy: -118.958
flat angles C4'-P-C4' energy: -133.622
flat angles P-C4'-P energy: -80.510
tors. eta vs tors. theta energy: -155.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1764.040385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.040385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.040385 (E_RNA)
where:
Base-Base interactions energy: -1221.247
where: short stacking energy: -525.221
Base-Backbone interact. energy: -2.553
local terms energy: -540.240793
where:
bonds (distance) C4'-P energy: -105.079
bonds (distance) P-C4' energy: -110.341
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -67.417
tors. eta vs tors. theta energy: -127.820
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: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1526.869174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.869174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.869174 (E_RNA)
where:
Base-Base interactions energy: -990.291
where: short stacking energy: -430.675
Base-Backbone interact. energy: -1.831
local terms energy: -534.747238
where:
bonds (distance) C4'-P energy: -113.762
bonds (distance) P-C4' energy: -138.285
flat angles C4'-P-C4' energy: -123.625
flat angles P-C4'-P energy: -66.145
tors. eta vs tors. theta energy: -92.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1345.930426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.930426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.930426 (E_RNA)
where:
Base-Base interactions energy: -859.939
where: short stacking energy: -395.155
Base-Backbone interact. energy: -2.062
local terms energy: -483.929135
where:
bonds (distance) C4'-P energy: -117.694
bonds (distance) P-C4' energy: -112.294
flat angles C4'-P-C4' energy: -108.071
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -68.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1056.398652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.398652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.398652 (E_RNA)
where:
Base-Base interactions energy: -619.588
where: short stacking energy: -297.243
Base-Backbone interact. energy: 0.836
local terms energy: -437.646641
where:
bonds (distance) C4'-P energy: -103.246
bonds (distance) P-C4' energy: -127.337
flat angles C4'-P-C4' energy: -100.040
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -57.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -739.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.637799 (E_RNA)
where:
Base-Base interactions energy: -373.609
where: short stacking energy: -207.428
Base-Backbone interact. energy: -0.475
local terms energy: -365.553049
where:
bonds (distance) C4'-P energy: -94.860
bonds (distance) P-C4' energy: -115.715
flat angles C4'-P-C4' energy: -102.926
flat angles P-C4'-P energy: -53.214
tors. eta vs tors. theta energy: 1.161
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: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -633.533875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.533875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.533875 (E_RNA)
where:
Base-Base interactions energy: -313.720
where: short stacking energy: -215.456
Base-Backbone interact. energy: 3.589
local terms energy: -323.403406
where:
bonds (distance) C4'-P energy: -87.725
bonds (distance) P-C4' energy: -99.389
flat angles C4'-P-C4' energy: -70.222
flat angles P-C4'-P energy: -68.580
tors. eta vs tors. theta energy: 2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2266.326464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.326464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.326464 (E_RNA)
where:
Base-Base interactions energy: -1581.189
where: short stacking energy: -661.694
Base-Backbone interact. energy: -0.070
local terms energy: -685.067380
where:
bonds (distance) C4'-P energy: -129.629
bonds (distance) P-C4' energy: -134.545
flat angles C4'-P-C4' energy: -156.284
flat angles P-C4'-P energy: -92.484
tors. eta vs tors. theta energy: -172.125
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: 92
Temperature: 0.950000
Total energy: -2065.554163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.554163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.554163 (E_RNA)
where:
Base-Base interactions energy: -1404.822
where: short stacking energy: -598.873
Base-Backbone interact. energy: 2.220
local terms energy: -662.952743
where:
bonds (distance) C4'-P energy: -132.771
bonds (distance) P-C4' energy: -130.373
flat angles C4'-P-C4' energy: -133.731
flat angles P-C4'-P energy: -95.603
tors. eta vs tors. theta energy: -170.475
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: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2066.175646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.175646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.175646 (E_RNA)
where:
Base-Base interactions energy: -1408.484
where: short stacking energy: -609.690
Base-Backbone interact. energy: -1.004
local terms energy: -656.688183
where:
bonds (distance) C4'-P energy: -115.452
bonds (distance) P-C4' energy: -135.255
flat angles C4'-P-C4' energy: -156.741
flat angles P-C4'-P energy: -93.533
tors. eta vs tors. theta energy: -155.707
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: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1928.286493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.286493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.286493 (E_RNA)
where:
Base-Base interactions energy: -1294.662
where: short stacking energy: -578.054
Base-Backbone interact. energy: -0.870
local terms energy: -632.754221
where:
bonds (distance) C4'-P energy: -135.151
bonds (distance) P-C4' energy: -126.180
flat angles C4'-P-C4' energy: -145.362
flat angles P-C4'-P energy: -67.207
tors. eta vs tors. theta energy: -158.854
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1815.530852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.530852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.530852 (E_RNA)
where:
Base-Base interactions energy: -1249.198
where: short stacking energy: -516.857
Base-Backbone interact. energy: -4.586
local terms energy: -561.746351
where:
bonds (distance) C4'-P energy: -104.760
bonds (distance) P-C4' energy: -128.175
flat angles C4'-P-C4' energy: -121.585
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -137.760
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: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1496.861624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.861624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.861624 (E_RNA)
where:
Base-Base interactions energy: -976.322
where: short stacking energy: -427.812
Base-Backbone interact. energy: 1.980
local terms energy: -522.518910
where:
bonds (distance) C4'-P energy: -103.883
bonds (distance) P-C4' energy: -134.747
flat angles C4'-P-C4' energy: -96.630
flat angles P-C4'-P energy: -76.157
tors. eta vs tors. theta energy: -111.102
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1333.695035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.695035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.695035 (E_RNA)
where:
Base-Base interactions energy: -851.627
where: short stacking energy: -383.071
Base-Backbone interact. energy: 4.521
local terms energy: -486.588684
where:
bonds (distance) C4'-P energy: -99.105
bonds (distance) P-C4' energy: -120.681
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -67.035
tors. eta vs tors. theta energy: -89.093
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: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1052.358612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.358612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.358612 (E_RNA)
where:
Base-Base interactions energy: -638.388
where: short stacking energy: -308.482
Base-Backbone interact. energy: -3.744
local terms energy: -410.226924
where:
bonds (distance) C4'-P energy: -100.990
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -97.224
flat angles P-C4'-P energy: -63.516
tors. eta vs tors. theta energy: -32.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -783.245145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.245145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.245145 (E_RNA)
where:
Base-Base interactions energy: -405.406
where: short stacking energy: -186.948
Base-Backbone interact. energy: 2.283
local terms energy: -380.121541
where:
bonds (distance) C4'-P energy: -114.941
bonds (distance) P-C4' energy: -122.610
flat angles C4'-P-C4' energy: -91.302
flat angles P-C4'-P energy: -51.907
tors. eta vs tors. theta energy: 0.638
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: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -584.993225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.993225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.993225 (E_RNA)
where:
Base-Base interactions energy: -256.499
where: short stacking energy: -169.709
Base-Backbone interact. energy: 1.774
local terms energy: -330.268510
where:
bonds (distance) C4'-P energy: -101.922
bonds (distance) P-C4' energy: -103.689
flat angles C4'-P-C4' energy: -91.637
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: 22.630
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2286.181779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.181779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.181779 (E_RNA)
where:
Base-Base interactions energy: -1588.916
where: short stacking energy: -670.542
Base-Backbone interact. energy: -4.019
local terms energy: -693.246665
where:
bonds (distance) C4'-P energy: -124.870
bonds (distance) P-C4' energy: -132.798
flat angles C4'-P-C4' energy: -144.217
flat angles P-C4'-P energy: -103.396
tors. eta vs tors. theta energy: -187.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2088.072911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.072911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.072911 (E_RNA)
where:
Base-Base interactions energy: -1437.824
where: short stacking energy: -602.733
Base-Backbone interact. energy: -0.194
local terms energy: -650.054838
where:
bonds (distance) C4'-P energy: -126.009
bonds (distance) P-C4' energy: -143.448
flat angles C4'-P-C4' energy: -135.874
flat angles P-C4'-P energy: -89.370
tors. eta vs tors. theta energy: -155.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2086.918790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.918790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.918790 (E_RNA)
where:
Base-Base interactions energy: -1449.775
where: short stacking energy: -615.224
Base-Backbone interact. energy: -0.578
local terms energy: -636.565812
where:
bonds (distance) C4'-P energy: -129.406
bonds (distance) P-C4' energy: -120.056
flat angles C4'-P-C4' energy: -134.360
flat angles P-C4'-P energy: -86.169
tors. eta vs tors. theta energy: -166.574
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1830.612894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.612894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.612894 (E_RNA)
where:
Base-Base interactions energy: -1245.108
where: short stacking energy: -528.402
Base-Backbone interact. energy: -3.055
local terms energy: -582.450524
where:
bonds (distance) C4'-P energy: -120.152
bonds (distance) P-C4' energy: -121.603
flat angles C4'-P-C4' energy: -126.275
flat angles P-C4'-P energy: -76.503
tors. eta vs tors. theta energy: -137.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1829.535238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.535238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.535238 (E_RNA)
where:
Base-Base interactions energy: -1224.246
where: short stacking energy: -537.456
Base-Backbone interact. energy: -2.129
local terms energy: -603.160360
where:
bonds (distance) C4'-P energy: -110.146
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -126.954
flat angles P-C4'-P energy: -96.264
tors. eta vs tors. theta energy: -142.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1561.984899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.984899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.984899 (E_RNA)
where:
Base-Base interactions energy: -1028.337
where: short stacking energy: -457.650
Base-Backbone interact. energy: 1.167
local terms energy: -534.814820
where:
bonds (distance) C4'-P energy: -111.884
bonds (distance) P-C4' energy: -116.012
flat angles C4'-P-C4' energy: -128.353
flat angles P-C4'-P energy: -69.605
tors. eta vs tors. theta energy: -108.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1392.367067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.367067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.367067 (E_RNA)
where:
Base-Base interactions energy: -924.167
where: short stacking energy: -429.577
Base-Backbone interact. energy: -3.308
local terms energy: -464.892763
where:
bonds (distance) C4'-P energy: -101.288
bonds (distance) P-C4' energy: -101.646
flat angles C4'-P-C4' energy: -99.339
flat angles P-C4'-P energy: -78.166
tors. eta vs tors. theta energy: -84.453
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: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1118.830954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.830954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.830954 (E_RNA)
where:
Base-Base interactions energy: -644.084
where: short stacking energy: -311.271
Base-Backbone interact. energy: 1.243
local terms energy: -475.989374
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -125.617
flat angles C4'-P-C4' energy: -116.750
flat angles P-C4'-P energy: -77.617
tors. eta vs tors. theta energy: -59.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -734.904076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.904076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.904076 (E_RNA)
where:
Base-Base interactions energy: -378.462
where: short stacking energy: -186.067
Base-Backbone interact. energy: 7.814
local terms energy: -364.256291
where:
bonds (distance) C4'-P energy: -108.041
bonds (distance) P-C4' energy: -116.864
flat angles C4'-P-C4' energy: -101.553
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: 13.891
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: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -567.662308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.662308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.662308 (E_RNA)
where:
Base-Base interactions energy: -228.989
where: short stacking energy: -170.560
Base-Backbone interact. energy: -0.209
local terms energy: -338.464220
where:
bonds (distance) C4'-P energy: -95.770
bonds (distance) P-C4' energy: -110.077
flat angles C4'-P-C4' energy: -98.729
flat angles P-C4'-P energy: -50.368
tors. eta vs tors. theta energy: 16.480
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: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2307.075459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.075459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.075459 (E_RNA)
where:
Base-Base interactions energy: -1589.030
where: short stacking energy: -657.780
Base-Backbone interact. energy: -1.726
local terms energy: -716.319560
where:
bonds (distance) C4'-P energy: -134.710
bonds (distance) P-C4' energy: -142.912
flat angles C4'-P-C4' energy: -159.973
flat angles P-C4'-P energy: -86.186
tors. eta vs tors. theta energy: -192.538
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: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2074.016303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.016303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.016303 (E_RNA)
where:
Base-Base interactions energy: -1436.937
where: short stacking energy: -635.400
Base-Backbone interact. energy: -1.864
local terms energy: -635.215033
where:
bonds (distance) C4'-P energy: -119.044
bonds (distance) P-C4' energy: -133.921
flat angles C4'-P-C4' energy: -130.991
flat angles P-C4'-P energy: -82.294
tors. eta vs tors. theta energy: -168.964
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: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2105.480925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.480925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.480925 (E_RNA)
where:
Base-Base interactions energy: -1478.637
where: short stacking energy: -633.109
Base-Backbone interact. energy: -0.485
local terms energy: -626.359240
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -124.657
flat angles C4'-P-C4' energy: -140.489
flat angles P-C4'-P energy: -93.123
tors. eta vs tors. theta energy: -160.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1846.867022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.867022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.867022 (E_RNA)
where:
Base-Base interactions energy: -1242.968
where: short stacking energy: -532.865
Base-Backbone interact. energy: -4.062
local terms energy: -599.837639
where:
bonds (distance) C4'-P energy: -110.131
bonds (distance) P-C4' energy: -119.896
flat angles C4'-P-C4' energy: -129.815
flat angles P-C4'-P energy: -96.910
tors. eta vs tors. theta energy: -143.087
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: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1824.375498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.375498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.375498 (E_RNA)
where:
Base-Base interactions energy: -1228.790
where: short stacking energy: -542.748
Base-Backbone interact. energy: -4.402
local terms energy: -591.183250
where:
bonds (distance) C4'-P energy: -116.261
bonds (distance) P-C4' energy: -123.997
flat angles C4'-P-C4' energy: -121.675
flat angles P-C4'-P energy: -77.793
tors. eta vs tors. theta energy: -151.458
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: 94
Temperature: 1.150000
Total energy: -1587.282363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.282363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.282363 (E_RNA)
where:
Base-Base interactions energy: -1046.838
where: short stacking energy: -475.353
Base-Backbone interact. energy: 0.862
local terms energy: -541.306307
where:
bonds (distance) C4'-P energy: -95.795
bonds (distance) P-C4' energy: -118.042
flat angles C4'-P-C4' energy: -136.869
flat angles P-C4'-P energy: -75.154
tors. eta vs tors. theta energy: -115.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1463.942269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.942269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.942269 (E_RNA)
where:
Base-Base interactions energy: -924.552
where: short stacking energy: -443.683
Base-Backbone interact. energy: -2.276
local terms energy: -537.113556
where:
bonds (distance) C4'-P energy: -117.505
bonds (distance) P-C4' energy: -103.962
flat angles C4'-P-C4' energy: -125.954
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -99.934
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: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1076.158430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.158430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.158430 (E_RNA)
where:
Base-Base interactions energy: -661.955
where: short stacking energy: -322.536
Base-Backbone interact. energy: -0.282
local terms energy: -413.921476
where:
bonds (distance) C4'-P energy: -90.041
bonds (distance) P-C4' energy: -115.602
flat angles C4'-P-C4' energy: -98.454
flat angles P-C4'-P energy: -57.308
tors. eta vs tors. theta energy: -52.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -757.217074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.217074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.217074 (E_RNA)
where:
Base-Base interactions energy: -407.674
where: short stacking energy: -215.999
Base-Backbone interact. energy: 3.777
local terms energy: -353.320126
where:
bonds (distance) C4'-P energy: -92.716
bonds (distance) P-C4' energy: -108.636
flat angles C4'-P-C4' energy: -94.446
flat angles P-C4'-P energy: -51.960
tors. eta vs tors. theta energy: -5.561
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: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -501.480413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.480413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.480413 (E_RNA)
where:
Base-Base interactions energy: -221.782
where: short stacking energy: -153.169
Base-Backbone interact. energy: 1.401
local terms energy: -281.099824
where:
bonds (distance) C4'-P energy: -109.834
bonds (distance) P-C4' energy: -100.655
flat angles C4'-P-C4' energy: -75.157
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: 41.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2277.977293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.977293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.977293 (E_RNA)
where:
Base-Base interactions energy: -1578.490
where: short stacking energy: -637.236
Base-Backbone interact. energy: -5.647
local terms energy: -693.840380
where:
bonds (distance) C4'-P energy: -121.360
bonds (distance) P-C4' energy: -145.273
flat angles C4'-P-C4' energy: -153.922
flat angles P-C4'-P energy: -96.344
tors. eta vs tors. theta energy: -176.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2050.854808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.854808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.854808 (E_RNA)
where:
Base-Base interactions energy: -1413.626
where: short stacking energy: -604.330
Base-Backbone interact. energy: -2.713
local terms energy: -634.515455
where:
bonds (distance) C4'-P energy: -134.428
bonds (distance) P-C4' energy: -115.941
flat angles C4'-P-C4' energy: -141.054
flat angles P-C4'-P energy: -89.760
tors. eta vs tors. theta energy: -153.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2066.412368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.412368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.412368 (E_RNA)
where:
Base-Base interactions energy: -1438.907
where: short stacking energy: -589.242
Base-Backbone interact. energy: -0.460
local terms energy: -627.045731
where:
bonds (distance) C4'-P energy: -128.497
bonds (distance) P-C4' energy: -121.640
flat angles C4'-P-C4' energy: -133.502
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -166.217
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1868.607260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.607260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.607260 (E_RNA)
where:
Base-Base interactions energy: -1254.428
where: short stacking energy: -538.735
Base-Backbone interact. energy: -1.925
local terms energy: -612.254649
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -135.668
flat angles C4'-P-C4' energy: -133.613
flat angles P-C4'-P energy: -91.031
tors. eta vs tors. theta energy: -138.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1791.502702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.502702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.502702 (E_RNA)
where:
Base-Base interactions energy: -1190.146
where: short stacking energy: -526.829
Base-Backbone interact. energy: 3.397
local terms energy: -604.753701
where:
bonds (distance) C4'-P energy: -118.088
bonds (distance) P-C4' energy: -120.473
flat angles C4'-P-C4' energy: -134.307
flat angles P-C4'-P energy: -82.284
tors. eta vs tors. theta energy: -149.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1463.422081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.422081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.422081 (E_RNA)
where:
Base-Base interactions energy: -928.758
where: short stacking energy: -444.752
Base-Backbone interact. energy: 0.746
local terms energy: -535.410384
where:
bonds (distance) C4'-P energy: -123.383
bonds (distance) P-C4' energy: -119.075
flat angles C4'-P-C4' energy: -115.597
flat angles P-C4'-P energy: -76.080
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: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1490.450149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.450149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.450149 (E_RNA)
where:
Base-Base interactions energy: -976.012
where: short stacking energy: -419.678
Base-Backbone interact. energy: -1.947
local terms energy: -512.490854
where:
bonds (distance) C4'-P energy: -102.802
bonds (distance) P-C4' energy: -124.811
flat angles C4'-P-C4' energy: -119.852
flat angles P-C4'-P energy: -68.892
tors. eta vs tors. theta energy: -96.135
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: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1115.907587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.907587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.907587 (E_RNA)
where:
Base-Base interactions energy: -678.722
where: short stacking energy: -334.560
Base-Backbone interact. energy: 0.333
local terms energy: -437.518441
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -127.814
flat angles C4'-P-C4' energy: -108.203
flat angles P-C4'-P energy: -63.949
tors. eta vs tors. theta energy: -38.208
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -809.974724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.974724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.974724 (E_RNA)
where:
Base-Base interactions energy: -401.211
where: short stacking energy: -207.657
Base-Backbone interact. energy: -0.103
local terms energy: -408.660338
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -119.839
flat angles C4'-P-C4' energy: -104.079
flat angles P-C4'-P energy: -71.456
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -524.498363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.498363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.498363 (E_RNA)
where:
Base-Base interactions energy: -202.348
where: short stacking energy: -137.759
Base-Backbone interact. energy: 4.917
local terms energy: -327.066863
where:
bonds (distance) C4'-P energy: -107.540
bonds (distance) P-C4' energy: -95.117
flat angles C4'-P-C4' energy: -86.519
flat angles P-C4'-P energy: -47.774
tors. eta vs tors. theta energy: 9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2267.044121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.044121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.044121 (E_RNA)
where:
Base-Base interactions energy: -1556.883
where: short stacking energy: -661.848
Base-Backbone interact. energy: -3.582
local terms energy: -706.578807
where:
bonds (distance) C4'-P energy: -121.820
bonds (distance) P-C4' energy: -136.408
flat angles C4'-P-C4' energy: -155.051
flat angles P-C4'-P energy: -95.888
tors. eta vs tors. theta energy: -197.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2071.401613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.401613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.401613 (E_RNA)
where:
Base-Base interactions energy: -1427.033
where: short stacking energy: -588.963
Base-Backbone interact. energy: -2.603
local terms energy: -641.765265
where:
bonds (distance) C4'-P energy: -129.511
bonds (distance) P-C4' energy: -121.464
flat angles C4'-P-C4' energy: -143.992
flat angles P-C4'-P energy: -96.252
tors. eta vs tors. theta energy: -150.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2060.180891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.180891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.180891 (E_RNA)
where:
Base-Base interactions energy: -1421.149
where: short stacking energy: -598.968
Base-Backbone interact. energy: -2.289
local terms energy: -636.743456
where:
bonds (distance) C4'-P energy: -128.137
bonds (distance) P-C4' energy: -124.690
flat angles C4'-P-C4' energy: -139.880
flat angles P-C4'-P energy: -91.898
tors. eta vs tors. theta energy: -152.138
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: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1908.360497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.360497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.360497 (E_RNA)
where:
Base-Base interactions energy: -1328.053
where: short stacking energy: -551.913
Base-Backbone interact. energy: 2.896
local terms energy: -583.202684
where:
bonds (distance) C4'-P energy: -115.079
bonds (distance) P-C4' energy: -118.027
flat angles C4'-P-C4' energy: -119.050
flat angles P-C4'-P energy: -76.499
tors. eta vs tors. theta energy: -154.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1763.248875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.248875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.248875 (E_RNA)
where:
Base-Base interactions energy: -1200.947
where: short stacking energy: -530.952
Base-Backbone interact. energy: -0.477
local terms energy: -561.825013
where:
bonds (distance) C4'-P energy: -110.346
bonds (distance) P-C4' energy: -121.589
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -82.931
tors. eta vs tors. theta energy: -120.709
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: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1460.273389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.273389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.273389 (E_RNA)
where:
Base-Base interactions energy: -941.822
where: short stacking energy: -437.511
Base-Backbone interact. energy: -0.498
local terms energy: -517.953281
where:
bonds (distance) C4'-P energy: -97.929
bonds (distance) P-C4' energy: -124.107
flat angles C4'-P-C4' energy: -123.169
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -107.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1519.590022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.590022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.590022 (E_RNA)
where:
Base-Base interactions energy: -1011.528
where: short stacking energy: -398.851
Base-Backbone interact. energy: 2.377
local terms energy: -510.438949
where:
bonds (distance) C4'-P energy: -116.444
bonds (distance) P-C4' energy: -117.384
flat angles C4'-P-C4' energy: -122.835
flat angles P-C4'-P energy: -61.240
tors. eta vs tors. theta energy: -92.535
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: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1143.914640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.914640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.914640 (E_RNA)
where:
Base-Base interactions energy: -675.597
where: short stacking energy: -314.801
Base-Backbone interact. energy: -2.202
local terms energy: -466.115312
where:
bonds (distance) C4'-P energy: -112.800
bonds (distance) P-C4' energy: -118.868
flat angles C4'-P-C4' energy: -108.868
flat angles P-C4'-P energy: -84.432
tors. eta vs tors. theta energy: -41.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -824.726172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.726172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.726172 (E_RNA)
where:
Base-Base interactions energy: -435.038
where: short stacking energy: -220.062
Base-Backbone interact. energy: 0.282
local terms energy: -389.969766
where:
bonds (distance) C4'-P energy: -109.998
bonds (distance) P-C4' energy: -103.694
flat angles C4'-P-C4' energy: -107.783
flat angles P-C4'-P energy: -59.653
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -531.593466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.593466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.593466 (E_RNA)
where:
Base-Base interactions energy: -173.480
where: short stacking energy: -138.642
Base-Backbone interact. energy: 9.460
local terms energy: -367.573316
where:
bonds (distance) C4'-P energy: -99.364
bonds (distance) P-C4' energy: -101.459
flat angles C4'-P-C4' energy: -108.352
flat angles P-C4'-P energy: -80.737
tors. eta vs tors. theta energy: 22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2290.390010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.390010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.390010 (E_RNA)
where:
Base-Base interactions energy: -1583.617
where: short stacking energy: -686.372
Base-Backbone interact. energy: -3.399
local terms energy: -703.374291
where:
bonds (distance) C4'-P energy: -125.422
bonds (distance) P-C4' energy: -129.461
flat angles C4'-P-C4' energy: -156.986
flat angles P-C4'-P energy: -93.883
tors. eta vs tors. theta energy: -197.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2128.997856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.997856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.997856 (E_RNA)
where:
Base-Base interactions energy: -1460.926
where: short stacking energy: -603.087
Base-Backbone interact. energy: -0.388
local terms energy: -667.683473
where:
bonds (distance) C4'-P energy: -132.295
bonds (distance) P-C4' energy: -130.459
flat angles C4'-P-C4' energy: -145.705
flat angles P-C4'-P energy: -95.840
tors. eta vs tors. theta energy: -163.385
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: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2023.798713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.798713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.798713 (E_RNA)
where:
Base-Base interactions energy: -1383.103
where: short stacking energy: -590.736
Base-Backbone interact. energy: -0.767
local terms energy: -639.928492
where:
bonds (distance) C4'-P energy: -118.858
bonds (distance) P-C4' energy: -133.065
flat angles C4'-P-C4' energy: -141.086
flat angles P-C4'-P energy: -85.500
tors. eta vs tors. theta energy: -161.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1927.052801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.052801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.052801 (E_RNA)
where:
Base-Base interactions energy: -1306.078
where: short stacking energy: -565.564
Base-Backbone interact. energy: -3.254
local terms energy: -617.721206
where:
bonds (distance) C4'-P energy: -112.972
bonds (distance) P-C4' energy: -124.900
flat angles C4'-P-C4' energy: -124.921
flat angles P-C4'-P energy: -84.593
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1749.427734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.427734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.427734 (E_RNA)
where:
Base-Base interactions energy: -1162.272
where: short stacking energy: -508.966
Base-Backbone interact. energy: -2.218
local terms energy: -584.937408
where:
bonds (distance) C4'-P energy: -118.080
bonds (distance) P-C4' energy: -118.706
flat angles C4'-P-C4' energy: -130.087
flat angles P-C4'-P energy: -78.426
tors. eta vs tors. theta energy: -139.638
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: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1517.226545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.226545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.226545 (E_RNA)
where:
Base-Base interactions energy: -982.254
where: short stacking energy: -435.423
Base-Backbone interact. energy: -4.328
local terms energy: -530.644436
where:
bonds (distance) C4'-P energy: -114.176
bonds (distance) P-C4' energy: -132.899
flat angles C4'-P-C4' energy: -115.742
flat angles P-C4'-P energy: -66.605
tors. eta vs tors. theta energy: -101.222
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1395.272199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.272199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.272199 (E_RNA)
where:
Base-Base interactions energy: -876.861
where: short stacking energy: -395.516
Base-Backbone interact. energy: 0.237
local terms energy: -518.647816
where:
bonds (distance) C4'-P energy: -127.925
bonds (distance) P-C4' energy: -113.764
flat angles C4'-P-C4' energy: -114.398
flat angles P-C4'-P energy: -78.614
tors. eta vs tors. theta energy: -83.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1102.834380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.834380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.834380 (E_RNA)
where:
Base-Base interactions energy: -657.693
where: short stacking energy: -336.834
Base-Backbone interact. energy: -0.736
local terms energy: -444.406091
where:
bonds (distance) C4'-P energy: -108.048
bonds (distance) P-C4' energy: -115.616
flat angles C4'-P-C4' energy: -117.023
flat angles P-C4'-P energy: -53.318
tors. eta vs tors. theta energy: -50.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -815.024921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.024921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.024921 (E_RNA)
where:
Base-Base interactions energy: -401.325
where: short stacking energy: -222.879
Base-Backbone interact. energy: 2.940
local terms energy: -416.639989
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -123.392
flat angles C4'-P-C4' energy: -98.998
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -36.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -515.105545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.105545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.105545 (E_RNA)
where:
Base-Base interactions energy: -207.845
where: short stacking energy: -160.566
Base-Backbone interact. energy: 7.449
local terms energy: -314.710094
where:
bonds (distance) C4'-P energy: -105.680
bonds (distance) P-C4' energy: -95.408
flat angles C4'-P-C4' energy: -81.573
flat angles P-C4'-P energy: -44.813
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2265.738650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.738650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.738650 (E_RNA)
where:
Base-Base interactions energy: -1559.304
where: short stacking energy: -658.607
Base-Backbone interact. energy: 1.079
local terms energy: -707.513535
where:
bonds (distance) C4'-P energy: -127.539
bonds (distance) P-C4' energy: -150.959
flat angles C4'-P-C4' energy: -157.061
flat angles P-C4'-P energy: -85.291
tors. eta vs tors. theta energy: -186.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2126.225000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.225000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.225000 (E_RNA)
where:
Base-Base interactions energy: -1472.019
where: short stacking energy: -604.565
Base-Backbone interact. energy: -1.065
local terms energy: -653.141110
where:
bonds (distance) C4'-P energy: -126.228
bonds (distance) P-C4' energy: -126.893
flat angles C4'-P-C4' energy: -150.477
flat angles P-C4'-P energy: -96.509
tors. eta vs tors. theta energy: -153.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2030.844318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.844318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.844318 (E_RNA)
where:
Base-Base interactions energy: -1405.457
where: short stacking energy: -592.667
Base-Backbone interact. energy: -2.001
local terms energy: -623.385679
where:
bonds (distance) C4'-P energy: -120.207
bonds (distance) P-C4' energy: -117.118
flat angles C4'-P-C4' energy: -143.792
flat angles P-C4'-P energy: -89.003
tors. eta vs tors. theta energy: -153.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1975.231825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.231825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.231825 (E_RNA)
where:
Base-Base interactions energy: -1345.450
where: short stacking energy: -569.332
Base-Backbone interact. energy: -1.104
local terms energy: -628.678544
where:
bonds (distance) C4'-P energy: -135.161
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -122.983
flat angles P-C4'-P energy: -79.399
tors. eta vs tors. theta energy: -165.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1726.442362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.442362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.442362 (E_RNA)
where:
Base-Base interactions energy: -1137.230
where: short stacking energy: -495.719
Base-Backbone interact. energy: -2.738
local terms energy: -586.473696
where:
bonds (distance) C4'-P energy: -110.960
bonds (distance) P-C4' energy: -130.654
flat angles C4'-P-C4' energy: -130.967
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -134.283
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: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1520.917634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.917634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.917634 (E_RNA)
where:
Base-Base interactions energy: -983.741
where: short stacking energy: -443.564
Base-Backbone interact. energy: -3.214
local terms energy: -533.962139
where:
bonds (distance) C4'-P energy: -118.782
bonds (distance) P-C4' energy: -123.895
flat angles C4'-P-C4' energy: -121.323
flat angles P-C4'-P energy: -66.723
tors. eta vs tors. theta energy: -103.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1396.506637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.506637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.506637 (E_RNA)
where:
Base-Base interactions energy: -897.189
where: short stacking energy: -414.021
Base-Backbone interact. energy: -3.784
local terms energy: -495.534076
where:
bonds (distance) C4'-P energy: -117.493
bonds (distance) P-C4' energy: -120.806
flat angles C4'-P-C4' energy: -112.385
flat angles P-C4'-P energy: -63.023
tors. eta vs tors. theta energy: -81.827
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: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1122.046839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.046839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.046839 (E_RNA)
where:
Base-Base interactions energy: -673.366
where: short stacking energy: -349.385
Base-Backbone interact. energy: 0.788
local terms energy: -449.468247
where:
bonds (distance) C4'-P energy: -107.183
bonds (distance) P-C4' energy: -101.899
flat angles C4'-P-C4' energy: -107.806
flat angles P-C4'-P energy: -63.865
tors. eta vs tors. theta energy: -68.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -804.928874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.928874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.928874 (E_RNA)
where:
Base-Base interactions energy: -401.317
where: short stacking energy: -243.695
Base-Backbone interact. energy: -2.062
local terms energy: -401.549910
where:
bonds (distance) C4'-P energy: -115.106
bonds (distance) P-C4' energy: -117.329
flat angles C4'-P-C4' energy: -98.629
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -542.648351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.648351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.648351 (E_RNA)
where:
Base-Base interactions energy: -198.327
where: short stacking energy: -136.628
Base-Backbone interact. energy: -4.242
local terms energy: -340.079276
where:
bonds (distance) C4'-P energy: -110.391
bonds (distance) P-C4' energy: -95.842
flat angles C4'-P-C4' energy: -98.784
flat angles P-C4'-P energy: -54.739
tors. eta vs tors. theta energy: 19.676
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: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2262.136198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.136198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.136198 (E_RNA)
where:
Base-Base interactions energy: -1528.701
where: short stacking energy: -659.730
Base-Backbone interact. energy: -3.272
local terms energy: -730.163042
where:
bonds (distance) C4'-P energy: -129.840
bonds (distance) P-C4' energy: -126.130
flat angles C4'-P-C4' energy: -157.380
flat angles P-C4'-P energy: -115.734
tors. eta vs tors. theta energy: -201.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2153.153138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.153138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.153138 (E_RNA)
where:
Base-Base interactions energy: -1477.940
where: short stacking energy: -632.172
Base-Backbone interact. energy: -1.101
local terms energy: -674.112222
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -132.077
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -109.239
tors. eta vs tors. theta energy: -166.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2059.906235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.906235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.906235 (E_RNA)
where:
Base-Base interactions energy: -1429.564
where: short stacking energy: -601.631
Base-Backbone interact. energy: -0.610
local terms energy: -629.732468
where:
bonds (distance) C4'-P energy: -129.989
bonds (distance) P-C4' energy: -126.239
flat angles C4'-P-C4' energy: -133.733
flat angles P-C4'-P energy: -74.322
tors. eta vs tors. theta energy: -165.449
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: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1922.796978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.796978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.796978 (E_RNA)
where:
Base-Base interactions energy: -1302.734
where: short stacking energy: -568.155
Base-Backbone interact. energy: 1.131
local terms energy: -621.194232
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -119.211
flat angles C4'-P-C4' energy: -138.841
flat angles P-C4'-P energy: -82.812
tors. eta vs tors. theta energy: -165.519
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: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1740.708702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.708702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.708702 (E_RNA)
where:
Base-Base interactions energy: -1158.185
where: short stacking energy: -499.902
Base-Backbone interact. energy: -2.021
local terms energy: -580.502938
where:
bonds (distance) C4'-P energy: -92.993
bonds (distance) P-C4' energy: -126.772
flat angles C4'-P-C4' energy: -133.572
flat angles P-C4'-P energy: -93.259
tors. eta vs tors. theta energy: -133.907
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: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1547.433655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.433655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.433655 (E_RNA)
where:
Base-Base interactions energy: -995.392
where: short stacking energy: -442.999
Base-Backbone interact. energy: -1.962
local terms energy: -550.078833
where:
bonds (distance) C4'-P energy: -119.563
bonds (distance) P-C4' energy: -117.971
flat angles C4'-P-C4' energy: -117.927
flat angles P-C4'-P energy: -66.209
tors. eta vs tors. theta energy: -128.409
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: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1418.000735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.000735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.000735 (E_RNA)
where:
Base-Base interactions energy: -921.723
where: short stacking energy: -421.567
Base-Backbone interact. energy: -0.035
local terms energy: -496.242803
where:
bonds (distance) C4'-P energy: -117.756
bonds (distance) P-C4' energy: -108.824
flat angles C4'-P-C4' energy: -101.694
flat angles P-C4'-P energy: -76.206
tors. eta vs tors. theta energy: -91.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1172.999267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.999267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.999267 (E_RNA)
where:
Base-Base interactions energy: -705.658
where: short stacking energy: -340.940
Base-Backbone interact. energy: -0.340
local terms energy: -467.000710
where:
bonds (distance) C4'-P energy: -119.225
bonds (distance) P-C4' energy: -118.243
flat angles C4'-P-C4' energy: -93.704
flat angles P-C4'-P energy: -67.333
tors. eta vs tors. theta energy: -68.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -794.416770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.416770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.416770 (E_RNA)
where:
Base-Base interactions energy: -399.306
where: short stacking energy: -237.526
Base-Backbone interact. energy: 5.886
local terms energy: -400.996922
where:
bonds (distance) C4'-P energy: -103.895
bonds (distance) P-C4' energy: -109.955
flat angles C4'-P-C4' energy: -104.419
flat angles P-C4'-P energy: -67.355
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -546.931974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.931974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.931974 (E_RNA)
where:
Base-Base interactions energy: -201.228
where: short stacking energy: -132.197
Base-Backbone interact. energy: 1.265
local terms energy: -346.968767
where:
bonds (distance) C4'-P energy: -122.591
bonds (distance) P-C4' energy: -115.279
flat angles C4'-P-C4' energy: -86.815
flat angles P-C4'-P energy: -54.803
tors. eta vs tors. theta energy: 32.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2272.938423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.938423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.938423 (E_RNA)
where:
Base-Base interactions energy: -1574.556
where: short stacking energy: -641.865
Base-Backbone interact. energy: -2.950
local terms energy: -695.432412
where:
bonds (distance) C4'-P energy: -131.314
bonds (distance) P-C4' energy: -138.804
flat angles C4'-P-C4' energy: -156.493
flat angles P-C4'-P energy: -84.662
tors. eta vs tors. theta energy: -184.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2123.697278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.697278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.697278 (E_RNA)
where:
Base-Base interactions energy: -1442.152
where: short stacking energy: -603.470
Base-Backbone interact. energy: -3.988
local terms energy: -677.556650
where:
bonds (distance) C4'-P energy: -130.206
bonds (distance) P-C4' energy: -144.309
flat angles C4'-P-C4' energy: -137.536
flat angles P-C4'-P energy: -97.510
tors. eta vs tors. theta energy: -167.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2038.244328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.244328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.244328 (E_RNA)
where:
Base-Base interactions energy: -1415.729
where: short stacking energy: -590.679
Base-Backbone interact. energy: -1.136
local terms energy: -621.379668
where:
bonds (distance) C4'-P energy: -119.380
bonds (distance) P-C4' energy: -127.658
flat angles C4'-P-C4' energy: -140.684
flat angles P-C4'-P energy: -79.335
tors. eta vs tors. theta energy: -154.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1918.668992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.668992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.668992 (E_RNA)
where:
Base-Base interactions energy: -1292.512
where: short stacking energy: -593.548
Base-Backbone interact. energy: 0.075
local terms energy: -626.231365
where:
bonds (distance) C4'-P energy: -110.812
bonds (distance) P-C4' energy: -121.285
flat angles C4'-P-C4' energy: -146.266
flat angles P-C4'-P energy: -87.955
tors. eta vs tors. theta energy: -159.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1744.476378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.476378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.476378 (E_RNA)
where:
Base-Base interactions energy: -1174.682
where: short stacking energy: -537.356
Base-Backbone interact. energy: -1.365
local terms energy: -568.429887
where:
bonds (distance) C4'-P energy: -104.045
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -126.500
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -146.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1595.899074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.899074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.899074 (E_RNA)
where:
Base-Base interactions energy: -1021.322
where: short stacking energy: -474.938
Base-Backbone interact. energy: -0.799
local terms energy: -573.778024
where:
bonds (distance) C4'-P energy: -114.459
bonds (distance) P-C4' energy: -121.863
flat angles C4'-P-C4' energy: -135.414
flat angles P-C4'-P energy: -79.763
tors. eta vs tors. theta energy: -122.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1407.231561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.231561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.231561 (E_RNA)
where:
Base-Base interactions energy: -894.077
where: short stacking energy: -422.123
Base-Backbone interact. energy: -2.886
local terms energy: -510.268146
where:
bonds (distance) C4'-P energy: -104.897
bonds (distance) P-C4' energy: -111.676
flat angles C4'-P-C4' energy: -132.843
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -91.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1110.242240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.242240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.242240 (E_RNA)
where:
Base-Base interactions energy: -660.049
where: short stacking energy: -317.024
Base-Backbone interact. energy: -0.192
local terms energy: -450.001765
where:
bonds (distance) C4'-P energy: -112.637
bonds (distance) P-C4' energy: -108.331
flat angles C4'-P-C4' energy: -105.388
flat angles P-C4'-P energy: -76.944
tors. eta vs tors. theta energy: -46.701
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: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -783.336022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.336022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.336022 (E_RNA)
where:
Base-Base interactions energy: -412.170
where: short stacking energy: -236.553
Base-Backbone interact. energy: -2.886
local terms energy: -368.279628
where:
bonds (distance) C4'-P energy: -97.362
bonds (distance) P-C4' energy: -98.445
flat angles C4'-P-C4' energy: -86.822
flat angles P-C4'-P energy: -70.204
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -521.354433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.354433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.354433 (E_RNA)
where:
Base-Base interactions energy: -187.503
where: short stacking energy: -154.792
Base-Backbone interact. energy: 2.517
local terms energy: -336.368071
where:
bonds (distance) C4'-P energy: -107.162
bonds (distance) P-C4' energy: -117.796
flat angles C4'-P-C4' energy: -73.001
flat angles P-C4'-P energy: -63.865
tors. eta vs tors. theta energy: 25.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2270.513937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.513937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.513937 (E_RNA)
where:
Base-Base interactions energy: -1565.559
where: short stacking energy: -650.256
Base-Backbone interact. energy: -4.122
local terms energy: -700.833130
where:
bonds (distance) C4'-P energy: -135.134
bonds (distance) P-C4' energy: -134.166
flat angles C4'-P-C4' energy: -144.232
flat angles P-C4'-P energy: -100.485
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: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2124.545649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.545649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.545649 (E_RNA)
where:
Base-Base interactions energy: -1433.403
where: short stacking energy: -601.633
Base-Backbone interact. energy: -2.015
local terms energy: -689.126814
where:
bonds (distance) C4'-P energy: -135.796
bonds (distance) P-C4' energy: -143.691
flat angles C4'-P-C4' energy: -141.681
flat angles P-C4'-P energy: -110.032
tors. eta vs tors. theta energy: -157.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2036.820304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.820304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.820304 (E_RNA)
where:
Base-Base interactions energy: -1407.640
where: short stacking energy: -584.971
Base-Backbone interact. energy: -3.774
local terms energy: -625.405647
where:
bonds (distance) C4'-P energy: -133.561
bonds (distance) P-C4' energy: -124.983
flat angles C4'-P-C4' energy: -129.476
flat angles P-C4'-P energy: -84.287
tors. eta vs tors. theta energy: -153.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1920.528431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.528431 (E_RNA)
where:
Base-Base interactions energy: -1317.070
where: short stacking energy: -558.653
Base-Backbone interact. energy: -3.284
local terms energy: -600.175228
where:
bonds (distance) C4'-P energy: -125.600
bonds (distance) P-C4' energy: -103.719
flat angles C4'-P-C4' energy: -130.778
flat angles P-C4'-P energy: -87.199
tors. eta vs tors. theta energy: -152.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1758.971993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.971993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.971993 (E_RNA)
where:
Base-Base interactions energy: -1194.068
where: short stacking energy: -517.178
Base-Backbone interact. energy: 2.171
local terms energy: -567.074434
where:
bonds (distance) C4'-P energy: -109.438
bonds (distance) P-C4' energy: -115.207
flat angles C4'-P-C4' energy: -126.619
flat angles P-C4'-P energy: -79.484
tors. eta vs tors. theta energy: -136.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1552.103083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.103083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.103083 (E_RNA)
where:
Base-Base interactions energy: -1012.816
where: short stacking energy: -429.150
Base-Backbone interact. energy: 1.176
local terms energy: -540.463655
where:
bonds (distance) C4'-P energy: -117.839
bonds (distance) P-C4' energy: -116.965
flat angles C4'-P-C4' energy: -114.878
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -110.755
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: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1387.860738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.860738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.860738 (E_RNA)
where:
Base-Base interactions energy: -879.596
where: short stacking energy: -405.824
Base-Backbone interact. energy: 0.727
local terms energy: -508.992044
where:
bonds (distance) C4'-P energy: -106.113
bonds (distance) P-C4' energy: -131.017
flat angles C4'-P-C4' energy: -124.848
flat angles P-C4'-P energy: -64.387
tors. eta vs tors. theta energy: -82.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1162.566986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.566986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.566986 (E_RNA)
where:
Base-Base interactions energy: -680.667
where: short stacking energy: -334.091
Base-Backbone interact. energy: -3.069
local terms energy: -478.831194
where:
bonds (distance) C4'-P energy: -105.425
bonds (distance) P-C4' energy: -113.479
flat angles C4'-P-C4' energy: -99.377
flat angles P-C4'-P energy: -84.524
tors. eta vs tors. theta energy: -76.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -803.080677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.080677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.080677 (E_RNA)
where:
Base-Base interactions energy: -419.891
where: short stacking energy: -247.718
Base-Backbone interact. energy: 3.180
local terms energy: -386.369747
where:
bonds (distance) C4'-P energy: -114.233
bonds (distance) P-C4' energy: -96.236
flat angles C4'-P-C4' energy: -105.174
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -21.583
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: 101
Temperature: 1.350000
Total energy: -541.033903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.033903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.033903 (E_RNA)
where:
Base-Base interactions energy: -180.472
where: short stacking energy: -134.694
Base-Backbone interact. energy: -1.033
local terms energy: -359.528979
where:
bonds (distance) C4'-P energy: -87.887
bonds (distance) P-C4' energy: -122.191
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -64.262
tors. eta vs tors. theta energy: 11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2273.263355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.263355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.263355 (E_RNA)
where:
Base-Base interactions energy: -1550.124
where: short stacking energy: -637.064
Base-Backbone interact. energy: -2.926
local terms energy: -720.213809
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -144.489
flat angles C4'-P-C4' energy: -163.196
flat angles P-C4'-P energy: -95.969
tors. eta vs tors. theta energy: -185.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2156.875039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.875039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.875039 (E_RNA)
where:
Base-Base interactions energy: -1487.261
where: short stacking energy: -632.828
Base-Backbone interact. energy: -1.415
local terms energy: -668.199301
where:
bonds (distance) C4'-P energy: -125.129
bonds (distance) P-C4' energy: -136.998
flat angles C4'-P-C4' energy: -142.626
flat angles P-C4'-P energy: -101.106
tors. eta vs tors. theta energy: -162.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2072.030959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.030959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.030959 (E_RNA)
where:
Base-Base interactions energy: -1419.542
where: short stacking energy: -571.657
Base-Backbone interact. energy: -1.960
local terms energy: -650.529448
where:
bonds (distance) C4'-P energy: -116.500
bonds (distance) P-C4' energy: -137.075
flat angles C4'-P-C4' energy: -136.923
flat angles P-C4'-P energy: -103.856
tors. eta vs tors. theta energy: -156.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1953.774218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.774218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.774218 (E_RNA)
where:
Base-Base interactions energy: -1313.129
where: short stacking energy: -560.750
Base-Backbone interact. energy: -3.462
local terms energy: -637.183168
where:
bonds (distance) C4'-P energy: -117.649
bonds (distance) P-C4' energy: -126.449
flat angles C4'-P-C4' energy: -141.858
flat angles P-C4'-P energy: -82.094
tors. eta vs tors. theta energy: -169.134
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: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1708.244923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.244923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.244923 (E_RNA)
where:
Base-Base interactions energy: -1120.180
where: short stacking energy: -489.031
Base-Backbone interact. energy: -5.374
local terms energy: -582.690837
where:
bonds (distance) C4'-P energy: -119.745
bonds (distance) P-C4' energy: -123.497
flat angles C4'-P-C4' energy: -129.092
flat angles P-C4'-P energy: -80.287
tors. eta vs tors. theta energy: -130.070
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: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1536.441757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.441757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.441757 (E_RNA)
where:
Base-Base interactions energy: -1002.603
where: short stacking energy: -459.308
Base-Backbone interact. energy: -5.401
local terms energy: -528.437469
where:
bonds (distance) C4'-P energy: -113.993
bonds (distance) P-C4' energy: -118.541
flat angles C4'-P-C4' energy: -115.421
flat angles P-C4'-P energy: -65.742
tors. eta vs tors. theta energy: -114.739
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: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1383.915944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.915944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.915944 (E_RNA)
where:
Base-Base interactions energy: -878.025
where: short stacking energy: -395.542
Base-Backbone interact. energy: -3.403
local terms energy: -502.488282
where:
bonds (distance) C4'-P energy: -99.562
bonds (distance) P-C4' energy: -129.077
flat angles C4'-P-C4' energy: -120.970
flat angles P-C4'-P energy: -73.276
tors. eta vs tors. theta energy: -79.604
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: 102
Temperature: 1.250000
Total energy: -1132.148000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.148000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.148000 (E_RNA)
where:
Base-Base interactions energy: -652.268
where: short stacking energy: -318.224
Base-Backbone interact. energy: -1.482
local terms energy: -478.397559
where:
bonds (distance) C4'-P energy: -116.394
bonds (distance) P-C4' energy: -122.217
flat angles C4'-P-C4' energy: -114.055
flat angles P-C4'-P energy: -77.840
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -735.160200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.160200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.160200 (E_RNA)
where:
Base-Base interactions energy: -364.381
where: short stacking energy: -202.043
Base-Backbone interact. energy: 0.974
local terms energy: -371.753214
where:
bonds (distance) C4'-P energy: -118.680
bonds (distance) P-C4' energy: -108.525
flat angles C4'-P-C4' energy: -84.344
flat angles P-C4'-P energy: -53.261
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -559.196082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.196082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.196082 (E_RNA)
where:
Base-Base interactions energy: -209.306
where: short stacking energy: -159.280
Base-Backbone interact. energy: 5.727
local terms energy: -355.616869
where:
bonds (distance) C4'-P energy: -124.543
bonds (distance) P-C4' energy: -95.236
flat angles C4'-P-C4' energy: -95.610
flat angles P-C4'-P energy: -52.340
tors. eta vs tors. theta energy: 12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2325.767171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.767171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.767171 (E_RNA)
where:
Base-Base interactions energy: -1603.080
where: short stacking energy: -669.798
Base-Backbone interact. energy: -2.419
local terms energy: -720.268913
where:
bonds (distance) C4'-P energy: -141.639
bonds (distance) P-C4' energy: -135.286
flat angles C4'-P-C4' energy: -142.294
flat angles P-C4'-P energy: -104.695
tors. eta vs tors. theta energy: -196.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2149.475092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.475092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.475092 (E_RNA)
where:
Base-Base interactions energy: -1497.647
where: short stacking energy: -639.415
Base-Backbone interact. energy: -4.669
local terms energy: -647.159082
where:
bonds (distance) C4'-P energy: -131.805
bonds (distance) P-C4' energy: -128.736
flat angles C4'-P-C4' energy: -146.307
flat angles P-C4'-P energy: -86.012
tors. eta vs tors. theta energy: -154.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2009.351935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.351935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.351935 (E_RNA)
where:
Base-Base interactions energy: -1391.002
where: short stacking energy: -581.956
Base-Backbone interact. energy: -1.955
local terms energy: -616.394221
where:
bonds (distance) C4'-P energy: -126.857
bonds (distance) P-C4' energy: -106.722
flat angles C4'-P-C4' energy: -141.707
flat angles P-C4'-P energy: -86.300
tors. eta vs tors. theta energy: -154.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1972.519224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.519224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.519224 (E_RNA)
where:
Base-Base interactions energy: -1336.082
where: short stacking energy: -583.658
Base-Backbone interact. energy: -6.394
local terms energy: -630.043088
where:
bonds (distance) C4'-P energy: -111.125
bonds (distance) P-C4' energy: -126.421
flat angles C4'-P-C4' energy: -135.020
flat angles P-C4'-P energy: -91.280
tors. eta vs tors. theta energy: -166.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1736.283692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.283692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.283692 (E_RNA)
where:
Base-Base interactions energy: -1145.954
where: short stacking energy: -500.664
Base-Backbone interact. energy: -2.005
local terms energy: -588.324667
where:
bonds (distance) C4'-P energy: -126.222
bonds (distance) P-C4' energy: -129.280
flat angles C4'-P-C4' energy: -128.087
flat angles P-C4'-P energy: -80.482
tors. eta vs tors. theta energy: -124.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1509.363419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.363419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.363419 (E_RNA)
where:
Base-Base interactions energy: -978.604
where: short stacking energy: -404.405
Base-Backbone interact. energy: -3.978
local terms energy: -526.782091
where:
bonds (distance) C4'-P energy: -123.098
bonds (distance) P-C4' energy: -120.788
flat angles C4'-P-C4' energy: -110.435
flat angles P-C4'-P energy: -79.671
tors. eta vs tors. theta energy: -92.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1411.174378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.174378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.174378 (E_RNA)
where:
Base-Base interactions energy: -917.499
where: short stacking energy: -431.007
Base-Backbone interact. energy: -2.583
local terms energy: -491.092152
where:
bonds (distance) C4'-P energy: -112.346
bonds (distance) P-C4' energy: -112.636
flat angles C4'-P-C4' energy: -103.203
flat angles P-C4'-P energy: -75.192
tors. eta vs tors. theta energy: -87.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1183.310881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.310881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.310881 (E_RNA)
where:
Base-Base interactions energy: -717.067
where: short stacking energy: -337.652
Base-Backbone interact. energy: 0.917
local terms energy: -467.160551
where:
bonds (distance) C4'-P energy: -121.750
bonds (distance) P-C4' energy: -134.250
flat angles C4'-P-C4' energy: -107.467
flat angles P-C4'-P energy: -48.733
tors. eta vs tors. theta energy: -54.961
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -770.237594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.237594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.237594 (E_RNA)
where:
Base-Base interactions energy: -361.489
where: short stacking energy: -213.245
Base-Backbone interact. energy: 0.534
local terms energy: -409.282569
where:
bonds (distance) C4'-P energy: -124.723
bonds (distance) P-C4' energy: -122.793
flat angles C4'-P-C4' energy: -95.509
flat angles P-C4'-P energy: -60.239
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -527.354859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.354859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.354859 (E_RNA)
where:
Base-Base interactions energy: -217.566
where: short stacking energy: -167.331
Base-Backbone interact. energy: 3.051
local terms energy: -312.840321
where:
bonds (distance) C4'-P energy: -101.508
bonds (distance) P-C4' energy: -112.355
flat angles C4'-P-C4' energy: -79.302
flat angles P-C4'-P energy: -45.675
tors. eta vs tors. theta energy: 26.000
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: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2289.759807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.759807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.759807 (E_RNA)
where:
Base-Base interactions energy: -1577.180
where: short stacking energy: -663.043
Base-Backbone interact. energy: -0.495
local terms energy: -712.085203
where:
bonds (distance) C4'-P energy: -131.982
bonds (distance) P-C4' energy: -130.334
flat angles C4'-P-C4' energy: -156.298
flat angles P-C4'-P energy: -97.248
tors. eta vs tors. theta energy: -196.224
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: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2166.703605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.703605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.703605 (E_RNA)
where:
Base-Base interactions energy: -1502.308
where: short stacking energy: -642.777
Base-Backbone interact. energy: -2.638
local terms energy: -661.758051
where:
bonds (distance) C4'-P energy: -122.314
bonds (distance) P-C4' energy: -126.504
flat angles C4'-P-C4' energy: -133.596
flat angles P-C4'-P energy: -98.588
tors. eta vs tors. theta energy: -180.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2041.891507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.891507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.891507 (E_RNA)
where:
Base-Base interactions energy: -1397.026
where: short stacking energy: -612.057
Base-Backbone interact. energy: -0.687
local terms energy: -644.178014
where:
bonds (distance) C4'-P energy: -124.760
bonds (distance) P-C4' energy: -125.088
flat angles C4'-P-C4' energy: -147.973
flat angles P-C4'-P energy: -81.362
tors. eta vs tors. theta energy: -164.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1981.043074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.043074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.043074 (E_RNA)
where:
Base-Base interactions energy: -1368.191
where: short stacking energy: -599.654
Base-Backbone interact. energy: -1.975
local terms energy: -610.877134
where:
bonds (distance) C4'-P energy: -114.695
bonds (distance) P-C4' energy: -108.294
flat angles C4'-P-C4' energy: -134.058
flat angles P-C4'-P energy: -86.744
tors. eta vs tors. theta energy: -167.086
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: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1737.319936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.319936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.319936 (E_RNA)
where:
Base-Base interactions energy: -1149.130
where: short stacking energy: -500.021
Base-Backbone interact. energy: -3.686
local terms energy: -584.504015
where:
bonds (distance) C4'-P energy: -117.704
bonds (distance) P-C4' energy: -118.179
flat angles C4'-P-C4' energy: -134.380
flat angles P-C4'-P energy: -88.795
tors. eta vs tors. theta energy: -125.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1515.738711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.738711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.738711 (E_RNA)
where:
Base-Base interactions energy: -989.068
where: short stacking energy: -432.700
Base-Backbone interact. energy: 3.272
local terms energy: -529.942316
where:
bonds (distance) C4'-P energy: -108.264
bonds (distance) P-C4' energy: -101.613
flat angles C4'-P-C4' energy: -140.565
flat angles P-C4'-P energy: -74.667
tors. eta vs tors. theta energy: -104.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1388.651792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.651792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.651792 (E_RNA)
where:
Base-Base interactions energy: -890.625
where: short stacking energy: -399.926
Base-Backbone interact. energy: 0.236
local terms energy: -498.263458
where:
bonds (distance) C4'-P energy: -94.705
bonds (distance) P-C4' energy: -121.544
flat angles C4'-P-C4' energy: -126.389
flat angles P-C4'-P energy: -66.211
tors. eta vs tors. theta energy: -89.414
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: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1193.254210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.254210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.254210 (E_RNA)
where:
Base-Base interactions energy: -749.912
where: short stacking energy: -338.724
Base-Backbone interact. energy: 3.089
local terms energy: -446.430777
where:
bonds (distance) C4'-P energy: -111.539
bonds (distance) P-C4' energy: -113.865
flat angles C4'-P-C4' energy: -118.426
flat angles P-C4'-P energy: -60.129
tors. eta vs tors. theta energy: -42.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -738.147268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.147268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.147268 (E_RNA)
where:
Base-Base interactions energy: -375.170
where: short stacking energy: -213.990
Base-Backbone interact. energy: 0.663
local terms energy: -363.640248
where:
bonds (distance) C4'-P energy: -119.342
bonds (distance) P-C4' energy: -97.717
flat angles C4'-P-C4' energy: -93.487
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -549.915076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.915076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.915076 (E_RNA)
where:
Base-Base interactions energy: -220.104
where: short stacking energy: -164.899
Base-Backbone interact. energy: 1.862
local terms energy: -331.672898
where:
bonds (distance) C4'-P energy: -110.241
bonds (distance) P-C4' energy: -109.236
flat angles C4'-P-C4' energy: -72.930
flat angles P-C4'-P energy: -57.537
tors. eta vs tors. theta energy: 18.271
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2293.024195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.024195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.024195 (E_RNA)
where:
Base-Base interactions energy: -1587.592
where: short stacking energy: -648.617
Base-Backbone interact. energy: -3.358
local terms energy: -702.073956
where:
bonds (distance) C4'-P energy: -127.690
bonds (distance) P-C4' energy: -128.053
flat angles C4'-P-C4' energy: -157.776
flat angles P-C4'-P energy: -103.089
tors. eta vs tors. theta energy: -185.466
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: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2148.512480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.512480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.512480 (E_RNA)
where:
Base-Base interactions energy: -1503.047
where: short stacking energy: -629.807
Base-Backbone interact. energy: 2.610
local terms energy: -648.075087
where:
bonds (distance) C4'-P energy: -124.846
bonds (distance) P-C4' energy: -134.152
flat angles C4'-P-C4' energy: -137.898
flat angles P-C4'-P energy: -91.252
tors. eta vs tors. theta energy: -159.927
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: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2021.941897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.941897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.941897 (E_RNA)
where:
Base-Base interactions energy: -1372.642
where: short stacking energy: -587.520
Base-Backbone interact. energy: -1.221
local terms energy: -648.079085
where:
bonds (distance) C4'-P energy: -120.272
bonds (distance) P-C4' energy: -134.108
flat angles C4'-P-C4' energy: -141.959
flat angles P-C4'-P energy: -93.249
tors. eta vs tors. theta energy: -158.492
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1978.067725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.067725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.067725 (E_RNA)
where:
Base-Base interactions energy: -1365.422
where: short stacking energy: -585.507
Base-Backbone interact. energy: -0.836
local terms energy: -611.810017
where:
bonds (distance) C4'-P energy: -100.075
bonds (distance) P-C4' energy: -118.573
flat angles C4'-P-C4' energy: -143.164
flat angles P-C4'-P energy: -87.525
tors. eta vs tors. theta energy: -162.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1777.931294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.931294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.931294 (E_RNA)
where:
Base-Base interactions energy: -1202.604
where: short stacking energy: -534.509
Base-Backbone interact. energy: -2.128
local terms energy: -573.199994
where:
bonds (distance) C4'-P energy: -118.788
bonds (distance) P-C4' energy: -109.333
flat angles C4'-P-C4' energy: -141.301
flat angles P-C4'-P energy: -71.670
tors. eta vs tors. theta energy: -132.108
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: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1558.962589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.962589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.962589 (E_RNA)
where:
Base-Base interactions energy: -1021.471
where: short stacking energy: -486.591
Base-Backbone interact. energy: -2.450
local terms energy: -535.041509
where:
bonds (distance) C4'-P energy: -113.615
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -116.142
flat angles P-C4'-P energy: -74.375
tors. eta vs tors. theta energy: -114.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1495.599391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.599391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.599391 (E_RNA)
where:
Base-Base interactions energy: -995.434
where: short stacking energy: -432.507
Base-Backbone interact. energy: -0.854
local terms energy: -499.311230
where:
bonds (distance) C4'-P energy: -101.549
bonds (distance) P-C4' energy: -95.419
flat angles C4'-P-C4' energy: -124.042
flat angles P-C4'-P energy: -65.779
tors. eta vs tors. theta energy: -112.522
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: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1210.337424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.337424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.337424 (E_RNA)
where:
Base-Base interactions energy: -761.897
where: short stacking energy: -367.256
Base-Backbone interact. energy: -0.011
local terms energy: -448.429372
where:
bonds (distance) C4'-P energy: -97.870
bonds (distance) P-C4' energy: -103.970
flat angles C4'-P-C4' energy: -112.887
flat angles P-C4'-P energy: -62.203
tors. eta vs tors. theta energy: -71.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -758.756811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.756811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.756811 (E_RNA)
where:
Base-Base interactions energy: -377.439
where: short stacking energy: -230.606
Base-Backbone interact. energy: 1.065
local terms energy: -382.382927
where:
bonds (distance) C4'-P energy: -109.619
bonds (distance) P-C4' energy: -114.692
flat angles C4'-P-C4' energy: -94.616
flat angles P-C4'-P energy: -47.916
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -499.006279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.006279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.006279 (E_RNA)
where:
Base-Base interactions energy: -205.994
where: short stacking energy: -141.093
Base-Backbone interact. energy: 0.781
local terms energy: -293.793364
where:
bonds (distance) C4'-P energy: -99.399
bonds (distance) P-C4' energy: -99.817
flat angles C4'-P-C4' energy: -88.342
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: 32.223
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: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2289.305851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.305851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.305851 (E_RNA)
where:
Base-Base interactions energy: -1595.380
where: short stacking energy: -674.952
Base-Backbone interact. energy: -1.919
local terms energy: -692.006677
where:
bonds (distance) C4'-P energy: -136.277
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -144.272
flat angles P-C4'-P energy: -88.467
tors. eta vs tors. theta energy: -181.572
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: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2191.129283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.129283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.129283 (E_RNA)
where:
Base-Base interactions energy: -1515.168
where: short stacking energy: -630.938
Base-Backbone interact. energy: -5.118
local terms energy: -670.842776
where:
bonds (distance) C4'-P energy: -127.406
bonds (distance) P-C4' energy: -124.710
flat angles C4'-P-C4' energy: -146.408
flat angles P-C4'-P energy: -98.038
tors. eta vs tors. theta energy: -174.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2078.776074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.776074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.776074 (E_RNA)
where:
Base-Base interactions energy: -1416.078
where: short stacking energy: -617.499
Base-Backbone interact. energy: -1.244
local terms energy: -661.454040
where:
bonds (distance) C4'-P energy: -129.309
bonds (distance) P-C4' energy: -133.150
flat angles C4'-P-C4' energy: -149.593
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: -170.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1958.306019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.306019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.306019 (E_RNA)
where:
Base-Base interactions energy: -1332.793
where: short stacking energy: -551.573
Base-Backbone interact. energy: -3.384
local terms energy: -622.129404
where:
bonds (distance) C4'-P energy: -116.359
bonds (distance) P-C4' energy: -121.531
flat angles C4'-P-C4' energy: -134.265
flat angles P-C4'-P energy: -93.982
tors. eta vs tors. theta energy: -155.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1724.894404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.894404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.894404 (E_RNA)
where:
Base-Base interactions energy: -1163.809
where: short stacking energy: -505.053
Base-Backbone interact. energy: 1.558
local terms energy: -562.643034
where:
bonds (distance) C4'-P energy: -96.887
bonds (distance) P-C4' energy: -115.786
flat angles C4'-P-C4' energy: -131.681
flat angles P-C4'-P energy: -89.450
tors. eta vs tors. theta energy: -128.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1514.777416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.777416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.777416 (E_RNA)
where:
Base-Base interactions energy: -995.046
where: short stacking energy: -471.232
Base-Backbone interact. energy: -0.215
local terms energy: -519.516521
where:
bonds (distance) C4'-P energy: -99.823
bonds (distance) P-C4' energy: -122.201
flat angles C4'-P-C4' energy: -119.944
flat angles P-C4'-P energy: -68.120
tors. eta vs tors. theta energy: -109.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1456.236787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.236787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.236787 (E_RNA)
where:
Base-Base interactions energy: -932.078
where: short stacking energy: -425.219
Base-Backbone interact. energy: -2.026
local terms energy: -522.132985
where:
bonds (distance) C4'-P energy: -127.920
bonds (distance) P-C4' energy: -120.139
flat angles C4'-P-C4' energy: -109.393
flat angles P-C4'-P energy: -73.353
tors. eta vs tors. theta energy: -91.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1208.829804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.829804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.829804 (E_RNA)
where:
Base-Base interactions energy: -762.842
where: short stacking energy: -362.905
Base-Backbone interact. energy: 0.500
local terms energy: -446.487845
where:
bonds (distance) C4'-P energy: -109.953
bonds (distance) P-C4' energy: -106.318
flat angles C4'-P-C4' energy: -93.527
flat angles P-C4'-P energy: -72.902
tors. eta vs tors. theta energy: -63.787
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: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -768.531649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.531649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.531649 (E_RNA)
where:
Base-Base interactions energy: -379.217
where: short stacking energy: -242.761
Base-Backbone interact. energy: 7.906
local terms energy: -397.219898
where:
bonds (distance) C4'-P energy: -109.265
bonds (distance) P-C4' energy: -110.509
flat angles C4'-P-C4' energy: -98.426
flat angles P-C4'-P energy: -61.434
tors. eta vs tors. theta energy: -17.586
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: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -537.465081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.465081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.465081 (E_RNA)
where:
Base-Base interactions energy: -204.713
where: short stacking energy: -150.470
Base-Backbone interact. energy: -0.835
local terms energy: -331.917293
where:
bonds (distance) C4'-P energy: -103.975
bonds (distance) P-C4' energy: -116.087
flat angles C4'-P-C4' energy: -88.440
flat angles P-C4'-P energy: -46.871
tors. eta vs tors. theta energy: 23.455
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: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2270.040521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.040521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.040521 (E_RNA)
where:
Base-Base interactions energy: -1562.007
where: short stacking energy: -649.365
Base-Backbone interact. energy: -3.709
local terms energy: -704.324171
where:
bonds (distance) C4'-P energy: -131.900
bonds (distance) P-C4' energy: -132.078
flat angles C4'-P-C4' energy: -147.742
flat angles P-C4'-P energy: -107.736
tors. eta vs tors. theta energy: -184.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2156.512733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.512733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.512733 (E_RNA)
where:
Base-Base interactions energy: -1503.304
where: short stacking energy: -610.911
Base-Backbone interact. energy: -1.176
local terms energy: -652.032975
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -131.656
flat angles C4'-P-C4' energy: -136.976
flat angles P-C4'-P energy: -94.533
tors. eta vs tors. theta energy: -159.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2038.507179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.507179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.507179 (E_RNA)
where:
Base-Base interactions energy: -1383.460
where: short stacking energy: -575.521
Base-Backbone interact. energy: -1.136
local terms energy: -653.911034
where:
bonds (distance) C4'-P energy: -126.621
bonds (distance) P-C4' energy: -127.933
flat angles C4'-P-C4' energy: -149.669
flat angles P-C4'-P energy: -93.519
tors. eta vs tors. theta energy: -156.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1986.424069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.424069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.424069 (E_RNA)
where:
Base-Base interactions energy: -1357.855
where: short stacking energy: -572.567
Base-Backbone interact. energy: -0.857
local terms energy: -627.711505
where:
bonds (distance) C4'-P energy: -125.902
bonds (distance) P-C4' energy: -130.492
flat angles C4'-P-C4' energy: -129.130
flat angles P-C4'-P energy: -88.603
tors. eta vs tors. theta energy: -153.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1793.976939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.976939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.976939 (E_RNA)
where:
Base-Base interactions energy: -1224.984
where: short stacking energy: -545.097
Base-Backbone interact. energy: -4.904
local terms energy: -564.089148
where:
bonds (distance) C4'-P energy: -111.599
bonds (distance) P-C4' energy: -90.824
flat angles C4'-P-C4' energy: -136.701
flat angles P-C4'-P energy: -77.768
tors. eta vs tors. theta energy: -147.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1561.854536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.854536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.854536 (E_RNA)
where:
Base-Base interactions energy: -1008.641
where: short stacking energy: -463.288
Base-Backbone interact. energy: 4.251
local terms energy: -557.464715
where:
bonds (distance) C4'-P energy: -103.971
bonds (distance) P-C4' energy: -127.572
flat angles C4'-P-C4' energy: -119.144
flat angles P-C4'-P energy: -82.476
tors. eta vs tors. theta energy: -124.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1435.977255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.977255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.977255 (E_RNA)
where:
Base-Base interactions energy: -940.214
where: short stacking energy: -422.689
Base-Backbone interact. energy: -3.127
local terms energy: -492.636090
where:
bonds (distance) C4'-P energy: -114.961
bonds (distance) P-C4' energy: -108.965
flat angles C4'-P-C4' energy: -108.460
flat angles P-C4'-P energy: -75.448
tors. eta vs tors. theta energy: -84.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1200.110320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.110320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.110320 (E_RNA)
where:
Base-Base interactions energy: -761.076
where: short stacking energy: -339.370
Base-Backbone interact. energy: -1.732
local terms energy: -437.302667
where:
bonds (distance) C4'-P energy: -100.858
bonds (distance) P-C4' energy: -106.429
flat angles C4'-P-C4' energy: -115.814
flat angles P-C4'-P energy: -62.396
tors. eta vs tors. theta energy: -51.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -731.404493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.404493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.404493 (E_RNA)
where:
Base-Base interactions energy: -359.761
where: short stacking energy: -220.974
Base-Backbone interact. energy: 0.581
local terms energy: -372.223866
where:
bonds (distance) C4'-P energy: -104.233
bonds (distance) P-C4' energy: -120.492
flat angles C4'-P-C4' energy: -84.450
flat angles P-C4'-P energy: -47.457
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -524.713590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.713590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.713590 (E_RNA)
where:
Base-Base interactions energy: -178.784
where: short stacking energy: -153.303
Base-Backbone interact. energy: 1.985
local terms energy: -347.915341
where:
bonds (distance) C4'-P energy: -100.628
bonds (distance) P-C4' energy: -102.857
flat angles C4'-P-C4' energy: -116.173
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: 14.125
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: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2280.204615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.204615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.204615 (E_RNA)
where:
Base-Base interactions energy: -1572.293
where: short stacking energy: -660.251
Base-Backbone interact. energy: -1.852
local terms energy: -706.059741
where:
bonds (distance) C4'-P energy: -143.094
bonds (distance) P-C4' energy: -132.044
flat angles C4'-P-C4' energy: -147.256
flat angles P-C4'-P energy: -101.055
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: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2168.374495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.374495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.374495 (E_RNA)
where:
Base-Base interactions energy: -1503.341
where: short stacking energy: -635.507
Base-Backbone interact. energy: -5.618
local terms energy: -659.415609
where:
bonds (distance) C4'-P energy: -126.893
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -146.893
flat angles P-C4'-P energy: -88.493
tors. eta vs tors. theta energy: -171.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2038.688992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.688992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.688992 (E_RNA)
where:
Base-Base interactions energy: -1390.598
where: short stacking energy: -615.020
Base-Backbone interact. energy: -1.484
local terms energy: -646.607305
where:
bonds (distance) C4'-P energy: -134.452
bonds (distance) P-C4' energy: -113.604
flat angles C4'-P-C4' energy: -152.239
flat angles P-C4'-P energy: -83.667
tors. eta vs tors. theta energy: -162.645
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: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1969.394999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.394999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.394999 (E_RNA)
where:
Base-Base interactions energy: -1371.508
where: short stacking energy: -552.328
Base-Backbone interact. energy: 0.572
local terms energy: -598.459259
where:
bonds (distance) C4'-P energy: -127.778
bonds (distance) P-C4' energy: -119.317
flat angles C4'-P-C4' energy: -135.016
flat angles P-C4'-P energy: -78.887
tors. eta vs tors. theta energy: -137.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1762.242168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.242168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.242168 (E_RNA)
where:
Base-Base interactions energy: -1177.368
where: short stacking energy: -516.519
Base-Backbone interact. energy: -2.792
local terms energy: -582.081639
where:
bonds (distance) C4'-P energy: -113.704
bonds (distance) P-C4' energy: -130.696
flat angles C4'-P-C4' energy: -121.128
flat angles P-C4'-P energy: -72.865
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: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1590.870691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.870691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.870691 (E_RNA)
where:
Base-Base interactions energy: -1030.322
where: short stacking energy: -480.604
Base-Backbone interact. energy: -4.864
local terms energy: -555.683946
where:
bonds (distance) C4'-P energy: -107.518
bonds (distance) P-C4' energy: -128.139
flat angles C4'-P-C4' energy: -125.204
flat angles P-C4'-P energy: -87.222
tors. eta vs tors. theta energy: -107.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1406.176186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.176186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.176186 (E_RNA)
where:
Base-Base interactions energy: -883.216
where: short stacking energy: -419.542
Base-Backbone interact. energy: -1.870
local terms energy: -521.089978
where:
bonds (distance) C4'-P energy: -106.432
bonds (distance) P-C4' energy: -120.640
flat angles C4'-P-C4' energy: -124.689
flat angles P-C4'-P energy: -73.634
tors. eta vs tors. theta energy: -95.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1205.770922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.770922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.770922 (E_RNA)
where:
Base-Base interactions energy: -748.085
where: short stacking energy: -335.775
Base-Backbone interact. energy: 1.298
local terms energy: -458.984697
where:
bonds (distance) C4'-P energy: -118.898
bonds (distance) P-C4' energy: -96.982
flat angles C4'-P-C4' energy: -113.719
flat angles P-C4'-P energy: -74.778
tors. eta vs tors. theta energy: -54.608
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -700.141768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.141768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.141768 (E_RNA)
where:
Base-Base interactions energy: -326.167
where: short stacking energy: -214.239
Base-Backbone interact. energy: -3.316
local terms energy: -370.658526
where:
bonds (distance) C4'-P energy: -95.753
bonds (distance) P-C4' energy: -112.224
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: 0.398
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: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -557.021293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.021293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.021293 (E_RNA)
where:
Base-Base interactions energy: -205.817
where: short stacking energy: -161.883
Base-Backbone interact. energy: -1.092
local terms energy: -350.111598
where:
bonds (distance) C4'-P energy: -109.385
bonds (distance) P-C4' energy: -106.128
flat angles C4'-P-C4' energy: -99.738
flat angles P-C4'-P energy: -52.640
tors. eta vs tors. theta energy: 17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2249.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.151906 (E_RNA)
where:
Base-Base interactions energy: -1527.463
where: short stacking energy: -645.403
Base-Backbone interact. energy: -2.539
local terms energy: -719.150219
where:
bonds (distance) C4'-P energy: -134.240
bonds (distance) P-C4' energy: -145.942
flat angles C4'-P-C4' energy: -145.894
flat angles P-C4'-P energy: -99.766
tors. eta vs tors. theta energy: -193.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2113.202752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.202752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.202752 (E_RNA)
where:
Base-Base interactions energy: -1448.688
where: short stacking energy: -612.217
Base-Backbone interact. energy: -2.356
local terms energy: -662.158874
where:
bonds (distance) C4'-P energy: -124.544
bonds (distance) P-C4' energy: -137.938
flat angles C4'-P-C4' energy: -152.334
flat angles P-C4'-P energy: -91.133
tors. eta vs tors. theta energy: -156.211
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: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2068.577979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.577979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.577979 (E_RNA)
where:
Base-Base interactions energy: -1419.547
where: short stacking energy: -629.887
Base-Backbone interact. energy: -0.452
local terms energy: -648.579568
where:
bonds (distance) C4'-P energy: -123.448
bonds (distance) P-C4' energy: -126.662
flat angles C4'-P-C4' energy: -133.255
flat angles P-C4'-P energy: -93.006
tors. eta vs tors. theta energy: -172.209
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: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1962.337988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.337988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.337988 (E_RNA)
where:
Base-Base interactions energy: -1353.732
where: short stacking energy: -546.113
Base-Backbone interact. energy: -0.408
local terms energy: -608.198277
where:
bonds (distance) C4'-P energy: -113.046
bonds (distance) P-C4' energy: -122.980
flat angles C4'-P-C4' energy: -137.873
flat angles P-C4'-P energy: -91.854
tors. eta vs tors. theta energy: -142.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1719.774937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.774937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.774937 (E_RNA)
where:
Base-Base interactions energy: -1145.058
where: short stacking energy: -486.684
Base-Backbone interact. energy: -3.618
local terms energy: -571.098979
where:
bonds (distance) C4'-P energy: -105.865
bonds (distance) P-C4' energy: -130.689
flat angles C4'-P-C4' energy: -132.488
flat angles P-C4'-P energy: -88.751
tors. eta vs tors. theta energy: -113.306
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: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1643.883138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.883138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.883138 (E_RNA)
where:
Base-Base interactions energy: -1082.314
where: short stacking energy: -464.380
Base-Backbone interact. energy: -2.287
local terms energy: -559.282279
where:
bonds (distance) C4'-P energy: -127.556
bonds (distance) P-C4' energy: -108.558
flat angles C4'-P-C4' energy: -126.148
flat angles P-C4'-P energy: -75.506
tors. eta vs tors. theta energy: -121.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1438.507926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.507926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.507926 (E_RNA)
where:
Base-Base interactions energy: -905.300
where: short stacking energy: -423.944
Base-Backbone interact. energy: 0.764
local terms energy: -533.971291
where:
bonds (distance) C4'-P energy: -105.184
bonds (distance) P-C4' energy: -119.170
flat angles C4'-P-C4' energy: -111.991
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -113.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1189.294205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.294205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.294205 (E_RNA)
where:
Base-Base interactions energy: -714.210
where: short stacking energy: -347.942
Base-Backbone interact. energy: -3.033
local terms energy: -472.051719
where:
bonds (distance) C4'-P energy: -92.278
bonds (distance) P-C4' energy: -120.930
flat angles C4'-P-C4' energy: -125.397
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -78.232
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: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -734.607127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.607127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.607127 (E_RNA)
where:
Base-Base interactions energy: -368.662
where: short stacking energy: -231.874
Base-Backbone interact. energy: -1.894
local terms energy: -364.051456
where:
bonds (distance) C4'-P energy: -99.089
bonds (distance) P-C4' energy: -125.642
flat angles C4'-P-C4' energy: -85.285
flat angles P-C4'-P energy: -48.250
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -507.586589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.586589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.586589 (E_RNA)
where:
Base-Base interactions energy: -173.928
where: short stacking energy: -147.835
Base-Backbone interact. energy: 0.271
local terms energy: -333.930136
where:
bonds (distance) C4'-P energy: -99.310
bonds (distance) P-C4' energy: -112.340
flat angles C4'-P-C4' energy: -99.076
flat angles P-C4'-P energy: -46.483
tors. eta vs tors. theta energy: 23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2299.329949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.329949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.329949 (E_RNA)
where:
Base-Base interactions energy: -1575.836
where: short stacking energy: -669.282
Base-Backbone interact. energy: -4.487
local terms energy: -719.006988
where:
bonds (distance) C4'-P energy: -129.148
bonds (distance) P-C4' energy: -140.089
flat angles C4'-P-C4' energy: -163.286
flat angles P-C4'-P energy: -92.246
tors. eta vs tors. theta energy: -194.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2119.220326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.220326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.220326 (E_RNA)
where:
Base-Base interactions energy: -1469.384
where: short stacking energy: -640.261
Base-Backbone interact. energy: 1.728
local terms energy: -651.564321
where:
bonds (distance) C4'-P energy: -127.986
bonds (distance) P-C4' energy: -137.599
flat angles C4'-P-C4' energy: -133.070
flat angles P-C4'-P energy: -83.343
tors. eta vs tors. theta energy: -169.566
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: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2003.514291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.514291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.514291 (E_RNA)
where:
Base-Base interactions energy: -1369.042
where: short stacking energy: -556.979
Base-Backbone interact. energy: 0.363
local terms energy: -634.835591
where:
bonds (distance) C4'-P energy: -121.549
bonds (distance) P-C4' energy: -131.973
flat angles C4'-P-C4' energy: -147.242
flat angles P-C4'-P energy: -81.378
tors. eta vs tors. theta energy: -152.693
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1979.304046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.304046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.304046 (E_RNA)
where:
Base-Base interactions energy: -1364.040
where: short stacking energy: -578.434
Base-Backbone interact. energy: -2.937
local terms energy: -612.326806
where:
bonds (distance) C4'-P energy: -126.930
bonds (distance) P-C4' energy: -109.827
flat angles C4'-P-C4' energy: -135.689
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -162.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1667.919906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.919906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.919906 (E_RNA)
where:
Base-Base interactions energy: -1089.887
where: short stacking energy: -457.204
Base-Backbone interact. energy: -2.269
local terms energy: -575.763999
where:
bonds (distance) C4'-P energy: -121.580
bonds (distance) P-C4' energy: -122.835
flat angles C4'-P-C4' energy: -117.974
flat angles P-C4'-P energy: -90.694
tors. eta vs tors. theta energy: -122.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1586.724629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.724629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.724629 (E_RNA)
where:
Base-Base interactions energy: -1061.401
where: short stacking energy: -450.681
Base-Backbone interact. energy: 0.995
local terms energy: -526.318997
where:
bonds (distance) C4'-P energy: -108.632
bonds (distance) P-C4' energy: -128.270
flat angles C4'-P-C4' energy: -112.555
flat angles P-C4'-P energy: -68.209
tors. eta vs tors. theta energy: -108.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1448.622720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.622720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.622720 (E_RNA)
where:
Base-Base interactions energy: -941.970
where: short stacking energy: -460.824
Base-Backbone interact. energy: -2.313
local terms energy: -504.339342
where:
bonds (distance) C4'-P energy: -105.228
bonds (distance) P-C4' energy: -118.580
flat angles C4'-P-C4' energy: -125.448
flat angles P-C4'-P energy: -69.675
tors. eta vs tors. theta energy: -85.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1178.203496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.203496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.203496 (E_RNA)
where:
Base-Base interactions energy: -702.222
where: short stacking energy: -342.746
Base-Backbone interact. energy: 1.058
local terms energy: -477.039346
where:
bonds (distance) C4'-P energy: -98.876
bonds (distance) P-C4' energy: -124.228
flat angles C4'-P-C4' energy: -117.286
flat angles P-C4'-P energy: -76.235
tors. eta vs tors. theta energy: -60.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -735.579007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.579007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.579007 (E_RNA)
where:
Base-Base interactions energy: -360.948
where: short stacking energy: -222.019
Base-Backbone interact. energy: 0.455
local terms energy: -375.086810
where:
bonds (distance) C4'-P energy: -93.108
bonds (distance) P-C4' energy: -121.191
flat angles C4'-P-C4' energy: -92.453
flat angles P-C4'-P energy: -56.132
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -539.545631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.545631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.545631 (E_RNA)
where:
Base-Base interactions energy: -217.440
where: short stacking energy: -152.417
Base-Backbone interact. energy: 3.573
local terms energy: -325.678686
where:
bonds (distance) C4'-P energy: -93.262
bonds (distance) P-C4' energy: -122.897
flat angles C4'-P-C4' energy: -83.339
flat angles P-C4'-P energy: -52.359
tors. eta vs tors. theta energy: 26.179
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: 111
Temperature: 0.900000
Total energy: -2296.577261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.577261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.577261 (E_RNA)
where:
Base-Base interactions energy: -1562.517
where: short stacking energy: -646.651
Base-Backbone interact. energy: -4.418
local terms energy: -729.641654
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -144.140
flat angles C4'-P-C4' energy: -153.597
flat angles P-C4'-P energy: -105.828
tors. eta vs tors. theta energy: -192.215
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: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2142.921910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.921910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.921910 (E_RNA)
where:
Base-Base interactions energy: -1475.259
where: short stacking energy: -645.953
Base-Backbone interact. energy: -3.862
local terms energy: -663.800613
where:
bonds (distance) C4'-P energy: -125.182
bonds (distance) P-C4' energy: -137.450
flat angles C4'-P-C4' energy: -134.787
flat angles P-C4'-P energy: -90.340
tors. eta vs tors. theta energy: -176.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1971.255648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.255648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.255648 (E_RNA)
where:
Base-Base interactions energy: -1343.474
where: short stacking energy: -597.886
Base-Backbone interact. energy: -2.804
local terms energy: -624.977211
where:
bonds (distance) C4'-P energy: -115.923
bonds (distance) P-C4' energy: -114.257
flat angles C4'-P-C4' energy: -137.403
flat angles P-C4'-P energy: -104.532
tors. eta vs tors. theta energy: -152.863
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: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1983.135139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.135139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.135139 (E_RNA)
where:
Base-Base interactions energy: -1374.715
where: short stacking energy: -584.658
Base-Backbone interact. energy: -0.643
local terms energy: -607.776849
where:
bonds (distance) C4'-P energy: -122.392
bonds (distance) P-C4' energy: -106.899
flat angles C4'-P-C4' energy: -139.869
flat angles P-C4'-P energy: -75.849
tors. eta vs tors. theta energy: -162.768
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: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1695.531421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.531421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.531421 (E_RNA)
where:
Base-Base interactions energy: -1131.752
where: short stacking energy: -489.298
Base-Backbone interact. energy: -0.549
local terms energy: -563.230453
where:
bonds (distance) C4'-P energy: -128.097
bonds (distance) P-C4' energy: -118.876
flat angles C4'-P-C4' energy: -127.760
flat angles P-C4'-P energy: -73.190
tors. eta vs tors. theta energy: -115.306
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: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1694.769998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.769998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.769998 (E_RNA)
where:
Base-Base interactions energy: -1153.557
where: short stacking energy: -471.997
Base-Backbone interact. energy: -0.316
local terms energy: -540.897917
where:
bonds (distance) C4'-P energy: -102.597
bonds (distance) P-C4' energy: -117.519
flat angles C4'-P-C4' energy: -112.542
flat angles P-C4'-P energy: -84.093
tors. eta vs tors. theta energy: -124.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1501.149528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.149528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.149528 (E_RNA)
where:
Base-Base interactions energy: -983.961
where: short stacking energy: -449.705
Base-Backbone interact. energy: 2.980
local terms energy: -520.169117
where:
bonds (distance) C4'-P energy: -111.688
bonds (distance) P-C4' energy: -126.128
flat angles C4'-P-C4' energy: -121.787
flat angles P-C4'-P energy: -60.286
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1223.065036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.065036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.065036 (E_RNA)
where:
Base-Base interactions energy: -778.182
where: short stacking energy: -365.959
Base-Backbone interact. energy: -4.582
local terms energy: -440.301047
where:
bonds (distance) C4'-P energy: -105.175
bonds (distance) P-C4' energy: -102.484
flat angles C4'-P-C4' energy: -101.077
flat angles P-C4'-P energy: -59.453
tors. eta vs tors. theta energy: -72.112
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -686.194701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.194701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.194701 (E_RNA)
where:
Base-Base interactions energy: -316.721
where: short stacking energy: -206.651
Base-Backbone interact. energy: 0.999
local terms energy: -370.473582
where:
bonds (distance) C4'-P energy: -88.681
bonds (distance) P-C4' energy: -125.812
flat angles C4'-P-C4' energy: -101.165
flat angles P-C4'-P energy: -61.641
tors. eta vs tors. theta energy: 6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -579.506772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.506772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.506772 (E_RNA)
where:
Base-Base interactions energy: -235.534
where: short stacking energy: -153.957
Base-Backbone interact. energy: -3.039
local terms energy: -340.933733
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -117.670
flat angles C4'-P-C4' energy: -102.908
flat angles P-C4'-P energy: -42.485
tors. eta vs tors. theta energy: 28.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2270.173051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.173051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.173051 (E_RNA)
where:
Base-Base interactions energy: -1565.054
where: short stacking energy: -673.064
Base-Backbone interact. energy: -2.579
local terms energy: -702.539430
where:
bonds (distance) C4'-P energy: -137.691
bonds (distance) P-C4' energy: -119.500
flat angles C4'-P-C4' energy: -153.943
flat angles P-C4'-P energy: -100.577
tors. eta vs tors. theta energy: -190.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2165.888825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.888825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.888825 (E_RNA)
where:
Base-Base interactions energy: -1487.637
where: short stacking energy: -647.298
Base-Backbone interact. energy: 5.290
local terms energy: -683.541601
where:
bonds (distance) C4'-P energy: -139.206
bonds (distance) P-C4' energy: -124.930
flat angles C4'-P-C4' energy: -147.257
flat angles P-C4'-P energy: -99.261
tors. eta vs tors. theta energy: -172.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1983.552381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.552381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.552381 (E_RNA)
where:
Base-Base interactions energy: -1333.440
where: short stacking energy: -573.630
Base-Backbone interact. energy: -0.640
local terms energy: -649.472589
where:
bonds (distance) C4'-P energy: -130.363
bonds (distance) P-C4' energy: -140.154
flat angles C4'-P-C4' energy: -141.112
flat angles P-C4'-P energy: -95.219
tors. eta vs tors. theta energy: -142.623
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: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1960.513408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.513408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.513408 (E_RNA)
where:
Base-Base interactions energy: -1310.612
where: short stacking energy: -568.102
Base-Backbone interact. energy: -3.521
local terms energy: -646.380622
where:
bonds (distance) C4'-P energy: -123.082
bonds (distance) P-C4' energy: -122.523
flat angles C4'-P-C4' energy: -153.539
flat angles P-C4'-P energy: -92.145
tors. eta vs tors. theta energy: -155.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1751.369222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.369222 (E_RNA)
where:
Base-Base interactions energy: -1165.879
where: short stacking energy: -492.901
Base-Backbone interact. energy: -1.784
local terms energy: -583.706991
where:
bonds (distance) C4'-P energy: -110.498
bonds (distance) P-C4' energy: -128.429
flat angles C4'-P-C4' energy: -134.178
flat angles P-C4'-P energy: -77.634
tors. eta vs tors. theta energy: -132.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1640.882601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.882601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.882601 (E_RNA)
where:
Base-Base interactions energy: -1105.046
where: short stacking energy: -453.113
Base-Backbone interact. energy: 0.954
local terms energy: -536.791205
where:
bonds (distance) C4'-P energy: -95.572
bonds (distance) P-C4' energy: -122.195
flat angles C4'-P-C4' energy: -127.511
flat angles P-C4'-P energy: -65.580
tors. eta vs tors. theta energy: -125.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1542.146640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.146640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.146640 (E_RNA)
where:
Base-Base interactions energy: -998.970
where: short stacking energy: -446.868
Base-Backbone interact. energy: 0.588
local terms energy: -543.764727
where:
bonds (distance) C4'-P energy: -108.368
bonds (distance) P-C4' energy: -105.952
flat angles C4'-P-C4' energy: -126.948
flat angles P-C4'-P energy: -83.827
tors. eta vs tors. theta energy: -118.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1140.776739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.776739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.776739 (E_RNA)
where:
Base-Base interactions energy: -728.350
where: short stacking energy: -360.752
Base-Backbone interact. energy: -1.382
local terms energy: -411.044699
where:
bonds (distance) C4'-P energy: -100.833
bonds (distance) P-C4' energy: -91.193
flat angles C4'-P-C4' energy: -92.661
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -67.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -738.633700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.633700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.633700 (E_RNA)
where:
Base-Base interactions energy: -401.084
where: short stacking energy: -227.024
Base-Backbone interact. energy: 1.123
local terms energy: -338.673527
where:
bonds (distance) C4'-P energy: -98.463
bonds (distance) P-C4' energy: -90.230
flat angles C4'-P-C4' energy: -110.505
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -573.213790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.213790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.213790 (E_RNA)
where:
Base-Base interactions energy: -218.876
where: short stacking energy: -156.079
Base-Backbone interact. energy: -3.972
local terms energy: -350.365551
where:
bonds (distance) C4'-P energy: -112.529
bonds (distance) P-C4' energy: -112.036
flat angles C4'-P-C4' energy: -108.131
flat angles P-C4'-P energy: -46.645
tors. eta vs tors. theta energy: 28.975
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2289.285768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.285768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.285768 (E_RNA)
where:
Base-Base interactions energy: -1565.261
where: short stacking energy: -675.125
Base-Backbone interact. energy: 1.268
local terms energy: -725.291963
where:
bonds (distance) C4'-P energy: -133.162
bonds (distance) P-C4' energy: -138.040
flat angles C4'-P-C4' energy: -155.133
flat angles P-C4'-P energy: -104.846
tors. eta vs tors. theta energy: -194.112
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: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2147.366736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.366736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.366736 (E_RNA)
where:
Base-Base interactions energy: -1467.729
where: short stacking energy: -656.476
Base-Backbone interact. energy: -3.102
local terms energy: -676.536225
where:
bonds (distance) C4'-P energy: -133.019
bonds (distance) P-C4' energy: -132.447
flat angles C4'-P-C4' energy: -143.147
flat angles P-C4'-P energy: -92.353
tors. eta vs tors. theta energy: -175.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1980.836453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.836453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.836453 (E_RNA)
where:
Base-Base interactions energy: -1366.366
where: short stacking energy: -552.495
Base-Backbone interact. energy: -0.623
local terms energy: -613.846965
where:
bonds (distance) C4'-P energy: -128.134
bonds (distance) P-C4' energy: -120.826
flat angles C4'-P-C4' energy: -140.654
flat angles P-C4'-P energy: -87.432
tors. eta vs tors. theta energy: -136.800
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: 113
Temperature: 1.050000
Total energy: -1972.916852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.916852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.916852 (E_RNA)
where:
Base-Base interactions energy: -1340.931
where: short stacking energy: -590.766
Base-Backbone interact. energy: -1.454
local terms energy: -630.532274
where:
bonds (distance) C4'-P energy: -115.616
bonds (distance) P-C4' energy: -122.990
flat angles C4'-P-C4' energy: -141.112
flat angles P-C4'-P energy: -90.789
tors. eta vs tors. theta energy: -160.025
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1745.721170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.721170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.721170 (E_RNA)
where:
Base-Base interactions energy: -1158.513
where: short stacking energy: -492.286
Base-Backbone interact. energy: 1.762
local terms energy: -588.970869
where:
bonds (distance) C4'-P energy: -121.014
bonds (distance) P-C4' energy: -111.490
flat angles C4'-P-C4' energy: -130.713
flat angles P-C4'-P energy: -93.480
tors. eta vs tors. theta energy: -132.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1642.204042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.204042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.204042 (E_RNA)
where:
Base-Base interactions energy: -1099.712
where: short stacking energy: -462.240
Base-Backbone interact. energy: -4.848
local terms energy: -537.643778
where:
bonds (distance) C4'-P energy: -112.325
bonds (distance) P-C4' energy: -125.851
flat angles C4'-P-C4' energy: -105.768
flat angles P-C4'-P energy: -67.759
tors. eta vs tors. theta energy: -125.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1562.741469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.741469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.741469 (E_RNA)
where:
Base-Base interactions energy: -1014.968
where: short stacking energy: -448.645
Base-Backbone interact. energy: -0.929
local terms energy: -546.844781
where:
bonds (distance) C4'-P energy: -114.596
bonds (distance) P-C4' energy: -111.644
flat angles C4'-P-C4' energy: -132.802
flat angles P-C4'-P energy: -88.801
tors. eta vs tors. theta energy: -99.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1189.798079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.798079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.798079 (E_RNA)
where:
Base-Base interactions energy: -740.831
where: short stacking energy: -334.658
Base-Backbone interact. energy: -0.569
local terms energy: -448.398990
where:
bonds (distance) C4'-P energy: -114.032
bonds (distance) P-C4' energy: -100.557
flat angles C4'-P-C4' energy: -95.123
flat angles P-C4'-P energy: -75.184
tors. eta vs tors. theta energy: -63.502
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: 113
Temperature: 1.300000
Total energy: -759.019788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.019788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.019788 (E_RNA)
where:
Base-Base interactions energy: -369.293
where: short stacking energy: -223.333
Base-Backbone interact. energy: -1.643
local terms energy: -388.083612
where:
bonds (distance) C4'-P energy: -112.699
bonds (distance) P-C4' energy: -119.989
flat angles C4'-P-C4' energy: -98.511
flat angles P-C4'-P energy: -51.723
tors. eta vs tors. theta energy: -5.162
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: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -543.877338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.877338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.877338 (E_RNA)
where:
Base-Base interactions energy: -234.332
where: short stacking energy: -160.779
Base-Backbone interact. energy: 3.185
local terms energy: -312.730190
where:
bonds (distance) C4'-P energy: -100.088
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -90.193
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: 14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2287.426280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.426280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.426280 (E_RNA)
where:
Base-Base interactions energy: -1573.824
where: short stacking energy: -669.215
Base-Backbone interact. energy: -4.219
local terms energy: -709.383431
where:
bonds (distance) C4'-P energy: -122.060
bonds (distance) P-C4' energy: -134.659
flat angles C4'-P-C4' energy: -156.309
flat angles P-C4'-P energy: -96.790
tors. eta vs tors. theta energy: -199.566
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: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2106.594675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.594675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.594675 (E_RNA)
where:
Base-Base interactions energy: -1429.154
where: short stacking energy: -609.412
Base-Backbone interact. energy: -1.558
local terms energy: -675.881901
where:
bonds (distance) C4'-P energy: -133.865
bonds (distance) P-C4' energy: -121.298
flat angles C4'-P-C4' energy: -151.235
flat angles P-C4'-P energy: -104.865
tors. eta vs tors. theta energy: -164.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2052.866222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.866222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.866222 (E_RNA)
where:
Base-Base interactions energy: -1391.598
where: short stacking energy: -630.542
Base-Backbone interact. energy: -1.901
local terms energy: -659.367151
where:
bonds (distance) C4'-P energy: -124.477
bonds (distance) P-C4' energy: -133.430
flat angles C4'-P-C4' energy: -126.089
flat angles P-C4'-P energy: -101.548
tors. eta vs tors. theta energy: -173.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1948.550475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.550475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.550475 (E_RNA)
where:
Base-Base interactions energy: -1346.210
where: short stacking energy: -543.364
Base-Backbone interact. energy: -1.566
local terms energy: -600.774567
where:
bonds (distance) C4'-P energy: -103.163
bonds (distance) P-C4' energy: -123.631
flat angles C4'-P-C4' energy: -139.700
flat angles P-C4'-P energy: -89.885
tors. eta vs tors. theta energy: -144.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1781.619512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.619512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.619512 (E_RNA)
where:
Base-Base interactions energy: -1196.950
where: short stacking energy: -502.112
Base-Backbone interact. energy: -2.748
local terms energy: -581.921901
where:
bonds (distance) C4'-P energy: -107.726
bonds (distance) P-C4' energy: -121.562
flat angles C4'-P-C4' energy: -129.258
flat angles P-C4'-P energy: -81.275
tors. eta vs tors. theta energy: -142.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1690.160447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.160447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.160447 (E_RNA)
where:
Base-Base interactions energy: -1114.678
where: short stacking energy: -493.088
Base-Backbone interact. energy: -3.319
local terms energy: -572.163132
where:
bonds (distance) C4'-P energy: -108.661
bonds (distance) P-C4' energy: -125.019
flat angles C4'-P-C4' energy: -130.008
flat angles P-C4'-P energy: -79.111
tors. eta vs tors. theta energy: -129.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1518.716907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.716907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.716907 (E_RNA)
where:
Base-Base interactions energy: -1003.018
where: short stacking energy: -441.690
Base-Backbone interact. energy: 0.079
local terms energy: -515.777879
where:
bonds (distance) C4'-P energy: -106.807
bonds (distance) P-C4' energy: -109.537
flat angles C4'-P-C4' energy: -121.945
flat angles P-C4'-P energy: -76.653
tors. eta vs tors. theta energy: -100.837
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: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1274.519363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.519363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.519363 (E_RNA)
where:
Base-Base interactions energy: -806.506
where: short stacking energy: -359.088
Base-Backbone interact. energy: -1.966
local terms energy: -466.047734
where:
bonds (distance) C4'-P energy: -113.171
bonds (distance) P-C4' energy: -122.238
flat angles C4'-P-C4' energy: -111.737
flat angles P-C4'-P energy: -59.340
tors. eta vs tors. theta energy: -59.560
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: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -767.310334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.310334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.310334 (E_RNA)
where:
Base-Base interactions energy: -362.701
where: short stacking energy: -224.829
Base-Backbone interact. energy: -3.715
local terms energy: -400.893859
where:
bonds (distance) C4'-P energy: -109.809
bonds (distance) P-C4' energy: -108.988
flat angles C4'-P-C4' energy: -111.993
flat angles P-C4'-P energy: -49.991
tors. eta vs tors. theta energy: -20.112
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: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -576.705292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.705292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.705292 (E_RNA)
where:
Base-Base interactions energy: -246.542
where: short stacking energy: -166.241
Base-Backbone interact. energy: 0.358
local terms energy: -330.521409
where:
bonds (distance) C4'-P energy: -89.715
bonds (distance) P-C4' energy: -129.572
flat angles C4'-P-C4' energy: -96.559
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: 24.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2269.015129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.015129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.015129 (E_RNA)
where:
Base-Base interactions energy: -1563.614
where: short stacking energy: -640.287
Base-Backbone interact. energy: -5.242
local terms energy: -700.158537
where:
bonds (distance) C4'-P energy: -130.565
bonds (distance) P-C4' energy: -129.476
flat angles C4'-P-C4' energy: -142.695
flat angles P-C4'-P energy: -110.510
tors. eta vs tors. theta energy: -186.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2096.114741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.114741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.114741 (E_RNA)
where:
Base-Base interactions energy: -1430.655
where: short stacking energy: -591.860
Base-Backbone interact. energy: -3.603
local terms energy: -661.856294
where:
bonds (distance) C4'-P energy: -132.455
bonds (distance) P-C4' energy: -130.782
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -90.086
tors. eta vs tors. theta energy: -157.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2076.653576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.653576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.653576 (E_RNA)
where:
Base-Base interactions energy: -1407.569
where: short stacking energy: -638.564
Base-Backbone interact. energy: -6.342
local terms energy: -662.742450
where:
bonds (distance) C4'-P energy: -122.697
bonds (distance) P-C4' energy: -118.236
flat angles C4'-P-C4' energy: -144.190
flat angles P-C4'-P energy: -98.952
tors. eta vs tors. theta energy: -178.668
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: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1845.745158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.745158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.745158 (E_RNA)
where:
Base-Base interactions energy: -1235.413
where: short stacking energy: -509.096
Base-Backbone interact. energy: -2.371
local terms energy: -607.960979
where:
bonds (distance) C4'-P energy: -121.667
bonds (distance) P-C4' energy: -128.684
flat angles C4'-P-C4' energy: -141.119
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: -127.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1865.749803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.749803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.749803 (E_RNA)
where:
Base-Base interactions energy: -1266.514
where: short stacking energy: -531.811
Base-Backbone interact. energy: -2.068
local terms energy: -597.167345
where:
bonds (distance) C4'-P energy: -117.281
bonds (distance) P-C4' energy: -110.304
flat angles C4'-P-C4' energy: -138.739
flat angles P-C4'-P energy: -94.228
tors. eta vs tors. theta energy: -136.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1640.795099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.795099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.795099 (E_RNA)
where:
Base-Base interactions energy: -1072.074
where: short stacking energy: -437.113
Base-Backbone interact. energy: -1.352
local terms energy: -567.369066
where:
bonds (distance) C4'-P energy: -108.445
bonds (distance) P-C4' energy: -136.165
flat angles C4'-P-C4' energy: -131.394
flat angles P-C4'-P energy: -76.598
tors. eta vs tors. theta energy: -114.767
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: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1457.196428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.196428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.196428 (E_RNA)
where:
Base-Base interactions energy: -970.990
where: short stacking energy: -418.981
Base-Backbone interact. energy: -0.260
local terms energy: -485.946554
where:
bonds (distance) C4'-P energy: -107.834
bonds (distance) P-C4' energy: -97.211
flat angles C4'-P-C4' energy: -123.701
flat angles P-C4'-P energy: -65.697
tors. eta vs tors. theta energy: -91.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1324.726480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.726480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.726480 (E_RNA)
where:
Base-Base interactions energy: -825.585
where: short stacking energy: -387.702
Base-Backbone interact. energy: -2.869
local terms energy: -496.273064
where:
bonds (distance) C4'-P energy: -99.846
bonds (distance) P-C4' energy: -129.436
flat angles C4'-P-C4' energy: -112.706
flat angles P-C4'-P energy: -74.220
tors. eta vs tors. theta energy: -80.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -755.223203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.223203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.223203 (E_RNA)
where:
Base-Base interactions energy: -388.253
where: short stacking energy: -228.787
Base-Backbone interact. energy: 2.140
local terms energy: -369.110471
where:
bonds (distance) C4'-P energy: -89.878
bonds (distance) P-C4' energy: -125.384
flat angles C4'-P-C4' energy: -92.861
flat angles P-C4'-P energy: -60.563
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -616.553744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.553744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.553744 (E_RNA)
where:
Base-Base interactions energy: -278.988
where: short stacking energy: -180.811
Base-Backbone interact. energy: -1.066
local terms energy: -336.500031
where:
bonds (distance) C4'-P energy: -93.806
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -99.605
flat angles P-C4'-P energy: -62.227
tors. eta vs tors. theta energy: 13.135
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: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2284.254043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.254043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.254043 (E_RNA)
where:
Base-Base interactions energy: -1576.991
where: short stacking energy: -677.006
Base-Backbone interact. energy: 3.547
local terms energy: -710.809787
where:
bonds (distance) C4'-P energy: -130.026
bonds (distance) P-C4' energy: -125.677
flat angles C4'-P-C4' energy: -158.198
flat angles P-C4'-P energy: -102.002
tors. eta vs tors. theta energy: -194.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2125.495525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.495525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.495525 (E_RNA)
where:
Base-Base interactions energy: -1463.876
where: short stacking energy: -641.257
Base-Backbone interact. energy: -5.527
local terms energy: -656.092051
where:
bonds (distance) C4'-P energy: -112.333
bonds (distance) P-C4' energy: -134.555
flat angles C4'-P-C4' energy: -155.232
flat angles P-C4'-P energy: -94.777
tors. eta vs tors. theta energy: -159.195
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: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2051.773961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.773961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.773961 (E_RNA)
where:
Base-Base interactions energy: -1391.676
where: short stacking energy: -605.694
Base-Backbone interact. energy: -3.985
local terms energy: -656.113401
where:
bonds (distance) C4'-P energy: -135.386
bonds (distance) P-C4' energy: -132.144
flat angles C4'-P-C4' energy: -132.496
flat angles P-C4'-P energy: -76.823
tors. eta vs tors. theta energy: -179.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1905.690278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.690278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.690278 (E_RNA)
where:
Base-Base interactions energy: -1289.638
where: short stacking energy: -573.675
Base-Backbone interact. energy: -0.963
local terms energy: -615.088917
where:
bonds (distance) C4'-P energy: -125.939
bonds (distance) P-C4' energy: -123.034
flat angles C4'-P-C4' energy: -126.734
flat angles P-C4'-P energy: -77.232
tors. eta vs tors. theta energy: -162.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1821.147321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.147321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.147321 (E_RNA)
where:
Base-Base interactions energy: -1236.631
where: short stacking energy: -498.892
Base-Backbone interact. energy: -0.744
local terms energy: -583.771496
where:
bonds (distance) C4'-P energy: -116.521
bonds (distance) P-C4' energy: -111.912
flat angles C4'-P-C4' energy: -128.821
flat angles P-C4'-P energy: -83.603
tors. eta vs tors. theta energy: -142.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1614.515721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.515721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.515721 (E_RNA)
where:
Base-Base interactions energy: -1073.214
where: short stacking energy: -484.491
Base-Backbone interact. energy: -1.091
local terms energy: -540.211133
where:
bonds (distance) C4'-P energy: -106.452
bonds (distance) P-C4' energy: -125.450
flat angles C4'-P-C4' energy: -122.359
flat angles P-C4'-P energy: -67.238
tors. eta vs tors. theta energy: -118.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1489.624859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.624859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.624859 (E_RNA)
where:
Base-Base interactions energy: -970.302
where: short stacking energy: -430.410
Base-Backbone interact. energy: -1.791
local terms energy: -517.532073
where:
bonds (distance) C4'-P energy: -97.560
bonds (distance) P-C4' energy: -124.977
flat angles C4'-P-C4' energy: -126.774
flat angles P-C4'-P energy: -76.654
tors. eta vs tors. theta energy: -91.567
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: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1244.477745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.477745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.477745 (E_RNA)
where:
Base-Base interactions energy: -784.415
where: short stacking energy: -330.904
Base-Backbone interact. energy: -2.398
local terms energy: -457.665209
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -123.130
flat angles C4'-P-C4' energy: -104.126
flat angles P-C4'-P energy: -76.658
tors. eta vs tors. theta energy: -59.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -665.563656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.563656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.563656 (E_RNA)
where:
Base-Base interactions energy: -288.856
where: short stacking energy: -177.891
Base-Backbone interact. energy: 0.670
local terms energy: -377.377981
where:
bonds (distance) C4'-P energy: -109.688
bonds (distance) P-C4' energy: -125.120
flat angles C4'-P-C4' energy: -97.916
flat angles P-C4'-P energy: -51.252
tors. eta vs tors. theta energy: 6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -748.127355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.127355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.127355 (E_RNA)
where:
Base-Base interactions energy: -397.498
where: short stacking energy: -224.217
Base-Backbone interact. energy: -1.238
local terms energy: -349.391979
where:
bonds (distance) C4'-P energy: -106.639
bonds (distance) P-C4' energy: -86.864
flat angles C4'-P-C4' energy: -109.441
flat angles P-C4'-P energy: -42.161
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2260.354642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.354642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.354642 (E_RNA)
where:
Base-Base interactions energy: -1561.486
where: short stacking energy: -653.019
Base-Backbone interact. energy: -2.229
local terms energy: -696.639509
where:
bonds (distance) C4'-P energy: -139.134
bonds (distance) P-C4' energy: -124.336
flat angles C4'-P-C4' energy: -144.886
flat angles P-C4'-P energy: -96.599
tors. eta vs tors. theta energy: -191.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2150.458119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.458119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.458119 (E_RNA)
where:
Base-Base interactions energy: -1451.632
where: short stacking energy: -645.901
Base-Backbone interact. energy: -3.152
local terms energy: -695.674591
where:
bonds (distance) C4'-P energy: -132.144
bonds (distance) P-C4' energy: -135.432
flat angles C4'-P-C4' energy: -143.645
flat angles P-C4'-P energy: -107.574
tors. eta vs tors. theta energy: -176.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2045.801746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.801746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.801746 (E_RNA)
where:
Base-Base interactions energy: -1390.818
where: short stacking energy: -612.447
Base-Backbone interact. energy: -3.273
local terms energy: -651.710712
where:
bonds (distance) C4'-P energy: -133.614
bonds (distance) P-C4' energy: -125.724
flat angles C4'-P-C4' energy: -141.346
flat angles P-C4'-P energy: -75.592
tors. eta vs tors. theta energy: -175.435
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: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1945.953679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.953679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.953679 (E_RNA)
where:
Base-Base interactions energy: -1282.310
where: short stacking energy: -545.860
Base-Backbone interact. energy: -2.190
local terms energy: -661.454171
where:
bonds (distance) C4'-P energy: -112.748
bonds (distance) P-C4' energy: -135.475
flat angles C4'-P-C4' energy: -151.128
flat angles P-C4'-P energy: -91.041
tors. eta vs tors. theta energy: -171.062
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: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1849.430641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.430641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.430641 (E_RNA)
where:
Base-Base interactions energy: -1237.397
where: short stacking energy: -540.282
Base-Backbone interact. energy: -4.621
local terms energy: -607.412694
where:
bonds (distance) C4'-P energy: -110.499
bonds (distance) P-C4' energy: -129.502
flat angles C4'-P-C4' energy: -133.632
flat angles P-C4'-P energy: -80.630
tors. eta vs tors. theta energy: -153.149
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: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1642.328758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.328758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.328758 (E_RNA)
where:
Base-Base interactions energy: -1073.848
where: short stacking energy: -492.383
Base-Backbone interact. energy: -0.153
local terms energy: -568.327107
where:
bonds (distance) C4'-P energy: -120.664
bonds (distance) P-C4' energy: -113.729
flat angles C4'-P-C4' energy: -125.009
flat angles P-C4'-P energy: -80.412
tors. eta vs tors. theta energy: -128.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1486.710020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.710020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.710020 (E_RNA)
where:
Base-Base interactions energy: -973.416
where: short stacking energy: -434.834
Base-Backbone interact. energy: 0.169
local terms energy: -513.462954
where:
bonds (distance) C4'-P energy: -109.064
bonds (distance) P-C4' energy: -104.176
flat angles C4'-P-C4' energy: -120.585
flat angles P-C4'-P energy: -80.078
tors. eta vs tors. theta energy: -99.560
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1319.635779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.635779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.635779 (E_RNA)
where:
Base-Base interactions energy: -839.003
where: short stacking energy: -395.863
Base-Backbone interact. energy: -0.604
local terms energy: -480.028822
where:
bonds (distance) C4'-P energy: -102.934
bonds (distance) P-C4' energy: -92.854
flat angles C4'-P-C4' energy: -123.066
flat angles P-C4'-P energy: -76.877
tors. eta vs tors. theta energy: -84.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -642.018345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.018345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.018345 (E_RNA)
where:
Base-Base interactions energy: -316.806
where: short stacking energy: -187.309
Base-Backbone interact. energy: 3.681
local terms energy: -328.893499
where:
bonds (distance) C4'-P energy: -101.625
bonds (distance) P-C4' energy: -103.874
flat angles C4'-P-C4' energy: -88.316
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: 11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -728.639556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.639556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.639556 (E_RNA)
where:
Base-Base interactions energy: -360.911
where: short stacking energy: -192.440
Base-Backbone interact. energy: 1.837
local terms energy: -369.565032
where:
bonds (distance) C4'-P energy: -115.497
bonds (distance) P-C4' energy: -103.414
flat angles C4'-P-C4' energy: -97.927
flat angles P-C4'-P energy: -59.178
tors. eta vs tors. theta energy: 6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2280.302801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.302801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.302801 (E_RNA)
where:
Base-Base interactions energy: -1557.693
where: short stacking energy: -644.665
Base-Backbone interact. energy: -4.015
local terms energy: -718.594225
where:
bonds (distance) C4'-P energy: -140.434
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -152.645
flat angles P-C4'-P energy: -99.110
tors. eta vs tors. theta energy: -184.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2071.814048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.814048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.814048 (E_RNA)
where:
Base-Base interactions energy: -1419.475
where: short stacking energy: -614.116
Base-Backbone interact. energy: -2.200
local terms energy: -650.138746
where:
bonds (distance) C4'-P energy: -121.245
bonds (distance) P-C4' energy: -137.263
flat angles C4'-P-C4' energy: -145.698
flat angles P-C4'-P energy: -87.185
tors. eta vs tors. theta energy: -158.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2034.910009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.910009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.910009 (E_RNA)
where:
Base-Base interactions energy: -1378.874
where: short stacking energy: -623.151
Base-Backbone interact. energy: -1.571
local terms energy: -654.465741
where:
bonds (distance) C4'-P energy: -116.558
bonds (distance) P-C4' energy: -133.282
flat angles C4'-P-C4' energy: -133.321
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -176.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1910.570550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.570550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.570550 (E_RNA)
where:
Base-Base interactions energy: -1292.657
where: short stacking energy: -556.830
Base-Backbone interact. energy: 3.495
local terms energy: -621.408974
where:
bonds (distance) C4'-P energy: -129.378
bonds (distance) P-C4' energy: -115.325
flat angles C4'-P-C4' energy: -136.732
flat angles P-C4'-P energy: -85.157
tors. eta vs tors. theta energy: -154.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1790.660897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.660897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.660897 (E_RNA)
where:
Base-Base interactions energy: -1201.891
where: short stacking energy: -537.299
Base-Backbone interact. energy: -3.424
local terms energy: -585.346376
where:
bonds (distance) C4'-P energy: -121.297
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -119.891
flat angles P-C4'-P energy: -83.940
tors. eta vs tors. theta energy: -145.280
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: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1616.806137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.806137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.806137 (E_RNA)
where:
Base-Base interactions energy: -1056.790
where: short stacking energy: -468.886
Base-Backbone interact. energy: -2.582
local terms energy: -557.434283
where:
bonds (distance) C4'-P energy: -117.584
bonds (distance) P-C4' energy: -109.561
flat angles C4'-P-C4' energy: -123.751
flat angles P-C4'-P energy: -84.056
tors. eta vs tors. theta energy: -122.483
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: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1433.502550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.502550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.502550 (E_RNA)
where:
Base-Base interactions energy: -944.743
where: short stacking energy: -417.204
Base-Backbone interact. energy: 2.755
local terms energy: -491.514673
where:
bonds (distance) C4'-P energy: -108.396
bonds (distance) P-C4' energy: -113.326
flat angles C4'-P-C4' energy: -108.662
flat angles P-C4'-P energy: -79.959
tors. eta vs tors. theta energy: -81.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1330.250892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.250892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.250892 (E_RNA)
where:
Base-Base interactions energy: -843.547
where: short stacking energy: -378.350
Base-Backbone interact. energy: -0.105
local terms energy: -486.598227
where:
bonds (distance) C4'-P energy: -105.901
bonds (distance) P-C4' energy: -126.178
flat angles C4'-P-C4' energy: -104.378
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -82.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -738.705675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.705675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.705675 (E_RNA)
where:
Base-Base interactions energy: -349.393
where: short stacking energy: -209.961
Base-Backbone interact. energy: -0.703
local terms energy: -388.609872
where:
bonds (distance) C4'-P energy: -114.013
bonds (distance) P-C4' energy: -123.606
flat angles C4'-P-C4' energy: -96.004
flat angles P-C4'-P energy: -56.870
tors. eta vs tors. theta energy: 1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -591.651776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.651776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.651776 (E_RNA)
where:
Base-Base interactions energy: -263.267
where: short stacking energy: -193.446
Base-Backbone interact. energy: 0.617
local terms energy: -329.002134
where:
bonds (distance) C4'-P energy: -93.775
bonds (distance) P-C4' energy: -111.037
flat angles C4'-P-C4' energy: -83.058
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: 20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2249.268651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.268651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.268651 (E_RNA)
where:
Base-Base interactions energy: -1535.396
where: short stacking energy: -637.160
Base-Backbone interact. energy: -3.186
local terms energy: -710.686603
where:
bonds (distance) C4'-P energy: -131.643
bonds (distance) P-C4' energy: -138.741
flat angles C4'-P-C4' energy: -154.668
flat angles P-C4'-P energy: -100.356
tors. eta vs tors. theta energy: -185.279
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: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2095.068533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.068533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.068533 (E_RNA)
where:
Base-Base interactions energy: -1414.434
where: short stacking energy: -631.108
Base-Backbone interact. energy: -6.531
local terms energy: -674.102727
where:
bonds (distance) C4'-P energy: -136.842
bonds (distance) P-C4' energy: -126.695
flat angles C4'-P-C4' energy: -132.849
flat angles P-C4'-P energy: -102.352
tors. eta vs tors. theta energy: -175.365
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2061.836299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.836299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.836299 (E_RNA)
where:
Base-Base interactions energy: -1406.739
where: short stacking energy: -618.763
Base-Backbone interact. energy: -5.104
local terms energy: -649.993885
where:
bonds (distance) C4'-P energy: -103.992
bonds (distance) P-C4' energy: -125.074
flat angles C4'-P-C4' energy: -144.147
flat angles P-C4'-P energy: -98.247
tors. eta vs tors. theta energy: -178.533
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: 119
Temperature: 1.050000
Total energy: -1924.541157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.541157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.541157 (E_RNA)
where:
Base-Base interactions energy: -1306.441
where: short stacking energy: -552.630
Base-Backbone interact. energy: -1.764
local terms energy: -616.336105
where:
bonds (distance) C4'-P energy: -116.881
bonds (distance) P-C4' energy: -128.122
flat angles C4'-P-C4' energy: -138.646
flat angles P-C4'-P energy: -72.327
tors. eta vs tors. theta energy: -160.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1782.849351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.849351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.849351 (E_RNA)
where:
Base-Base interactions energy: -1199.551
where: short stacking energy: -553.858
Base-Backbone interact. energy: -2.661
local terms energy: -580.636829
where:
bonds (distance) C4'-P energy: -100.926
bonds (distance) P-C4' energy: -139.660
flat angles C4'-P-C4' energy: -125.365
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -145.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1608.268850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.268850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.268850 (E_RNA)
where:
Base-Base interactions energy: -1093.921
where: short stacking energy: -497.015
Base-Backbone interact. energy: -3.171
local terms energy: -511.176617
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -110.233
flat angles C4'-P-C4' energy: -118.011
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -120.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1496.657929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.657929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.657929 (E_RNA)
where:
Base-Base interactions energy: -983.948
where: short stacking energy: -428.872
Base-Backbone interact. energy: -1.301
local terms energy: -511.408861
where:
bonds (distance) C4'-P energy: -114.392
bonds (distance) P-C4' energy: -115.258
flat angles C4'-P-C4' energy: -111.231
flat angles P-C4'-P energy: -74.663
tors. eta vs tors. theta energy: -95.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1312.154402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.154402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.154402 (E_RNA)
where:
Base-Base interactions energy: -811.179
where: short stacking energy: -367.711
Base-Backbone interact. energy: -2.699
local terms energy: -498.276483
where:
bonds (distance) C4'-P energy: -110.632
bonds (distance) P-C4' energy: -119.658
flat angles C4'-P-C4' energy: -113.005
flat angles P-C4'-P energy: -74.569
tors. eta vs tors. theta energy: -80.413
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: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -736.939618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.939618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.939618 (E_RNA)
where:
Base-Base interactions energy: -352.469
where: short stacking energy: -214.579
Base-Backbone interact. energy: -2.200
local terms energy: -382.270894
where:
bonds (distance) C4'-P energy: -97.551
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -91.464
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -16.964
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: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -560.287131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.287131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.287131 (E_RNA)
where:
Base-Base interactions energy: -220.200
where: short stacking energy: -182.999
Base-Backbone interact. energy: 2.664
local terms energy: -342.751016
where:
bonds (distance) C4'-P energy: -105.923
bonds (distance) P-C4' energy: -112.990
flat angles C4'-P-C4' energy: -79.634
flat angles P-C4'-P energy: -35.403
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2228.781622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.781622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.781622 (E_RNA)
where:
Base-Base interactions energy: -1540.390
where: short stacking energy: -630.374
Base-Backbone interact. energy: -1.944
local terms energy: -686.447883
where:
bonds (distance) C4'-P energy: -126.507
bonds (distance) P-C4' energy: -128.165
flat angles C4'-P-C4' energy: -152.840
flat angles P-C4'-P energy: -94.643
tors. eta vs tors. theta energy: -184.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2105.018729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.018729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.018729 (E_RNA)
where:
Base-Base interactions energy: -1462.059
where: short stacking energy: -609.544
Base-Backbone interact. energy: -3.419
local terms energy: -639.540128
where:
bonds (distance) C4'-P energy: -122.348
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -149.622
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -161.654
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2017.618256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.618256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.618256 (E_RNA)
where:
Base-Base interactions energy: -1352.784
where: short stacking energy: -618.520
Base-Backbone interact. energy: 1.292
local terms energy: -666.127175
where:
bonds (distance) C4'-P energy: -124.061
bonds (distance) P-C4' energy: -121.996
flat angles C4'-P-C4' energy: -139.874
flat angles P-C4'-P energy: -98.162
tors. eta vs tors. theta energy: -182.035
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: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1970.945935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.945935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.945935 (E_RNA)
where:
Base-Base interactions energy: -1325.099
where: short stacking energy: -592.821
Base-Backbone interact. energy: -2.772
local terms energy: -643.075215
where:
bonds (distance) C4'-P energy: -111.354
bonds (distance) P-C4' energy: -125.607
flat angles C4'-P-C4' energy: -145.801
flat angles P-C4'-P energy: -105.678
tors. eta vs tors. theta energy: -154.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1760.493789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.493789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.493789 (E_RNA)
where:
Base-Base interactions energy: -1187.036
where: short stacking energy: -509.245
Base-Backbone interact. energy: -0.086
local terms energy: -573.372098
where:
bonds (distance) C4'-P energy: -103.493
bonds (distance) P-C4' energy: -116.496
flat angles C4'-P-C4' energy: -124.717
flat angles P-C4'-P energy: -91.914
tors. eta vs tors. theta energy: -136.753
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: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1600.740373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.740373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.740373 (E_RNA)
where:
Base-Base interactions energy: -1072.118
where: short stacking energy: -482.836
Base-Backbone interact. energy: -0.304
local terms energy: -528.317977
where:
bonds (distance) C4'-P energy: -121.683
bonds (distance) P-C4' energy: -100.759
flat angles C4'-P-C4' energy: -119.842
flat angles P-C4'-P energy: -64.266
tors. eta vs tors. theta energy: -121.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1538.480278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.480278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.480278 (E_RNA)
where:
Base-Base interactions energy: -1008.950
where: short stacking energy: -407.763
Base-Backbone interact. energy: -0.729
local terms energy: -528.800557
where:
bonds (distance) C4'-P energy: -110.005
bonds (distance) P-C4' energy: -119.404
flat angles C4'-P-C4' energy: -110.155
flat angles P-C4'-P energy: -87.216
tors. eta vs tors. theta energy: -102.021
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: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1325.270568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.270568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.270568 (E_RNA)
where:
Base-Base interactions energy: -813.767
where: short stacking energy: -363.710
Base-Backbone interact. energy: -0.198
local terms energy: -511.306150
where:
bonds (distance) C4'-P energy: -114.358
bonds (distance) P-C4' energy: -114.415
flat angles C4'-P-C4' energy: -117.428
flat angles P-C4'-P energy: -85.817
tors. eta vs tors. theta energy: -79.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -888.070273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.070273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.070273 (E_RNA)
where:
Base-Base interactions energy: -464.752
where: short stacking energy: -248.903
Base-Backbone interact. energy: -1.248
local terms energy: -422.070109
where:
bonds (distance) C4'-P energy: -123.579
bonds (distance) P-C4' energy: -110.674
flat angles C4'-P-C4' energy: -109.496
flat angles P-C4'-P energy: -59.307
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -630.725616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.725616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.725616 (E_RNA)
where:
Base-Base interactions energy: -266.875
where: short stacking energy: -166.336
Base-Backbone interact. energy: 0.570
local terms energy: -364.421428
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -118.539
flat angles C4'-P-C4' energy: -109.945
flat angles P-C4'-P energy: -55.029
tors. eta vs tors. theta energy: 9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2244.187702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.187702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.187702 (E_RNA)
where:
Base-Base interactions energy: -1532.166
where: short stacking energy: -656.879
Base-Backbone interact. energy: -1.160
local terms energy: -710.861929
where:
bonds (distance) C4'-P energy: -126.299
bonds (distance) P-C4' energy: -128.528
flat angles C4'-P-C4' energy: -155.354
flat angles P-C4'-P energy: -111.831
tors. eta vs tors. theta energy: -188.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2114.813030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.813030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.813030 (E_RNA)
where:
Base-Base interactions energy: -1441.270
where: short stacking energy: -630.495
Base-Backbone interact. energy: -5.408
local terms energy: -668.135582
where:
bonds (distance) C4'-P energy: -136.083
bonds (distance) P-C4' energy: -137.046
flat angles C4'-P-C4' energy: -137.854
flat angles P-C4'-P energy: -95.820
tors. eta vs tors. theta energy: -161.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2051.934222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.934222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.934222 (E_RNA)
where:
Base-Base interactions energy: -1418.175
where: short stacking energy: -611.618
Base-Backbone interact. energy: -1.960
local terms energy: -631.799116
where:
bonds (distance) C4'-P energy: -116.593
bonds (distance) P-C4' energy: -130.958
flat angles C4'-P-C4' energy: -132.920
flat angles P-C4'-P energy: -93.408
tors. eta vs tors. theta energy: -157.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1936.289295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.289295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.289295 (E_RNA)
where:
Base-Base interactions energy: -1306.774
where: short stacking energy: -575.274
Base-Backbone interact. energy: 0.621
local terms energy: -630.136467
where:
bonds (distance) C4'-P energy: -118.669
bonds (distance) P-C4' energy: -139.437
flat angles C4'-P-C4' energy: -136.258
flat angles P-C4'-P energy: -78.910
tors. eta vs tors. theta energy: -156.862
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: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1698.600222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.600222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.600222 (E_RNA)
where:
Base-Base interactions energy: -1112.548
where: short stacking energy: -497.339
Base-Backbone interact. energy: -2.250
local terms energy: -583.802633
where:
bonds (distance) C4'-P energy: -122.578
bonds (distance) P-C4' energy: -133.973
flat angles C4'-P-C4' energy: -126.136
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -122.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1665.016763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.016763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.016763 (E_RNA)
where:
Base-Base interactions energy: -1084.829
where: short stacking energy: -499.374
Base-Backbone interact. energy: -1.820
local terms energy: -578.367981
where:
bonds (distance) C4'-P energy: -120.075
bonds (distance) P-C4' energy: -111.139
flat angles C4'-P-C4' energy: -125.839
flat angles P-C4'-P energy: -95.725
tors. eta vs tors. theta energy: -125.590
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: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1542.908532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.908532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.908532 (E_RNA)
where:
Base-Base interactions energy: -1037.287
where: short stacking energy: -459.486
Base-Backbone interact. energy: -0.000
local terms energy: -505.621939
where:
bonds (distance) C4'-P energy: -116.462
bonds (distance) P-C4' energy: -113.119
flat angles C4'-P-C4' energy: -114.957
flat angles P-C4'-P energy: -58.605
tors. eta vs tors. theta energy: -102.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1333.801136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.801136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.801136 (E_RNA)
where:
Base-Base interactions energy: -818.013
where: short stacking energy: -382.493
Base-Backbone interact. energy: 4.693
local terms energy: -520.481235
where:
bonds (distance) C4'-P energy: -117.114
bonds (distance) P-C4' energy: -128.874
flat angles C4'-P-C4' energy: -123.006
flat angles P-C4'-P energy: -68.644
tors. eta vs tors. theta energy: -82.843
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -866.431495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.431495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.431495 (E_RNA)
where:
Base-Base interactions energy: -491.261
where: short stacking energy: -250.460
Base-Backbone interact. energy: -2.580
local terms energy: -372.590700
where:
bonds (distance) C4'-P energy: -91.849
bonds (distance) P-C4' energy: -119.697
flat angles C4'-P-C4' energy: -85.591
flat angles P-C4'-P energy: -60.311
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -611.504729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.504729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.504729 (E_RNA)
where:
Base-Base interactions energy: -290.000
where: short stacking energy: -181.354
Base-Backbone interact. energy: -2.525
local terms energy: -318.979758
where:
bonds (distance) C4'-P energy: -115.158
bonds (distance) P-C4' energy: -102.824
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -43.404
tors. eta vs tors. theta energy: 23.085
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: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2265.352435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.352435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.352435 (E_RNA)
where:
Base-Base interactions energy: -1572.954
where: short stacking energy: -664.214
Base-Backbone interact. energy: -2.483
local terms energy: -689.915555
where:
bonds (distance) C4'-P energy: -133.544
bonds (distance) P-C4' energy: -118.930
flat angles C4'-P-C4' energy: -144.657
flat angles P-C4'-P energy: -99.957
tors. eta vs tors. theta energy: -192.828
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: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2113.028219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.028219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.028219 (E_RNA)
where:
Base-Base interactions energy: -1473.882
where: short stacking energy: -609.941
Base-Backbone interact. energy: -5.766
local terms energy: -633.380248
where:
bonds (distance) C4'-P energy: -121.276
bonds (distance) P-C4' energy: -122.525
flat angles C4'-P-C4' energy: -143.063
flat angles P-C4'-P energy: -94.516
tors. eta vs tors. theta energy: -152.000
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: 122
Temperature: 1.000000
Total energy: -2048.256547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.256547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.256547 (E_RNA)
where:
Base-Base interactions energy: -1392.975
where: short stacking energy: -596.759
Base-Backbone interact. energy: 3.096
local terms energy: -658.377584
where:
bonds (distance) C4'-P energy: -119.991
bonds (distance) P-C4' energy: -122.810
flat angles C4'-P-C4' energy: -140.163
flat angles P-C4'-P energy: -101.029
tors. eta vs tors. theta energy: -174.384
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1958.148556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.148556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.148556 (E_RNA)
where:
Base-Base interactions energy: -1336.295
where: short stacking energy: -541.890
Base-Backbone interact. energy: -1.215
local terms energy: -620.637900
where:
bonds (distance) C4'-P energy: -105.989
bonds (distance) P-C4' energy: -129.279
flat angles C4'-P-C4' energy: -135.291
flat angles P-C4'-P energy: -94.217
tors. eta vs tors. theta energy: -155.862
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: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1723.262250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.262250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.262250 (E_RNA)
where:
Base-Base interactions energy: -1170.674
where: short stacking energy: -515.039
Base-Backbone interact. energy: -0.460
local terms energy: -552.128544
where:
bonds (distance) C4'-P energy: -106.191
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -125.801
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -128.577
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: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1639.670895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.670895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.670895 (E_RNA)
where:
Base-Base interactions energy: -1091.283
where: short stacking energy: -481.064
Base-Backbone interact. energy: 2.670
local terms energy: -551.058690
where:
bonds (distance) C4'-P energy: -110.560
bonds (distance) P-C4' energy: -127.612
flat angles C4'-P-C4' energy: -130.054
flat angles P-C4'-P energy: -70.054
tors. eta vs tors. theta energy: -112.778
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: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1525.962252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.962252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.962252 (E_RNA)
where:
Base-Base interactions energy: -985.216
where: short stacking energy: -428.213
Base-Backbone interact. energy: -0.266
local terms energy: -540.480845
where:
bonds (distance) C4'-P energy: -126.746
bonds (distance) P-C4' energy: -117.368
flat angles C4'-P-C4' energy: -115.186
flat angles P-C4'-P energy: -71.954
tors. eta vs tors. theta energy: -109.227
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: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1313.053860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.053860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.053860 (E_RNA)
where:
Base-Base interactions energy: -829.366
where: short stacking energy: -412.007
Base-Backbone interact. energy: 4.578
local terms energy: -488.265232
where:
bonds (distance) C4'-P energy: -102.812
bonds (distance) P-C4' energy: -119.254
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -68.804
tors. eta vs tors. theta energy: -80.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -903.886779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.886779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.886779 (E_RNA)
where:
Base-Base interactions energy: -471.263
where: short stacking energy: -262.122
Base-Backbone interact. energy: -1.131
local terms energy: -431.492684
where:
bonds (distance) C4'-P energy: -108.367
bonds (distance) P-C4' energy: -114.969
flat angles C4'-P-C4' energy: -112.158
flat angles P-C4'-P energy: -70.206
tors. eta vs tors. theta energy: -25.793
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: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -642.956735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.956735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.956735 (E_RNA)
where:
Base-Base interactions energy: -321.448
where: short stacking energy: -181.389
Base-Backbone interact. energy: -2.874
local terms energy: -318.635140
where:
bonds (distance) C4'-P energy: -91.079
bonds (distance) P-C4' energy: -95.750
flat angles C4'-P-C4' energy: -73.514
flat angles P-C4'-P energy: -60.807
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2264.464927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.464927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.464927 (E_RNA)
where:
Base-Base interactions energy: -1577.152
where: short stacking energy: -673.780
Base-Backbone interact. energy: -1.883
local terms energy: -685.430458
where:
bonds (distance) C4'-P energy: -122.116
bonds (distance) P-C4' energy: -121.809
flat angles C4'-P-C4' energy: -147.507
flat angles P-C4'-P energy: -102.336
tors. eta vs tors. theta energy: -191.663
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: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2148.131127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.131127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.131127 (E_RNA)
where:
Base-Base interactions energy: -1493.158
where: short stacking energy: -603.557
Base-Backbone interact. energy: -3.609
local terms energy: -651.364344
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -129.356
flat angles C4'-P-C4' energy: -146.168
flat angles P-C4'-P energy: -101.478
tors. eta vs tors. theta energy: -149.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2041.794254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.794254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.794254 (E_RNA)
where:
Base-Base interactions energy: -1397.107
where: short stacking energy: -608.828
Base-Backbone interact. energy: -4.256
local terms energy: -640.431066
where:
bonds (distance) C4'-P energy: -132.989
bonds (distance) P-C4' energy: -123.065
flat angles C4'-P-C4' energy: -128.171
flat angles P-C4'-P energy: -86.929
tors. eta vs tors. theta energy: -169.277
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: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1960.916042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.916042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.916042 (E_RNA)
where:
Base-Base interactions energy: -1338.531
where: short stacking energy: -567.885
Base-Backbone interact. energy: 0.591
local terms energy: -622.976350
where:
bonds (distance) C4'-P energy: -128.986
bonds (distance) P-C4' energy: -117.210
flat angles C4'-P-C4' energy: -137.699
flat angles P-C4'-P energy: -90.817
tors. eta vs tors. theta energy: -148.264
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: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1726.716554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.716554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.716554 (E_RNA)
where:
Base-Base interactions energy: -1181.675
where: short stacking energy: -491.954
Base-Backbone interact. energy: -0.990
local terms energy: -544.051775
where:
bonds (distance) C4'-P energy: -114.094
bonds (distance) P-C4' energy: -93.271
flat angles C4'-P-C4' energy: -129.023
flat angles P-C4'-P energy: -75.005
tors. eta vs tors. theta energy: -132.659
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: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1540.153485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.153485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.153485 (E_RNA)
where:
Base-Base interactions energy: -1006.004
where: short stacking energy: -423.222
Base-Backbone interact. energy: -0.839
local terms energy: -533.310508
where:
bonds (distance) C4'-P energy: -124.029
bonds (distance) P-C4' energy: -92.737
flat angles C4'-P-C4' energy: -122.521
flat angles P-C4'-P energy: -91.367
tors. eta vs tors. theta energy: -102.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1563.027807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.027807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.027807 (E_RNA)
where:
Base-Base interactions energy: -1016.908
where: short stacking energy: -477.308
Base-Backbone interact. energy: 1.915
local terms energy: -548.034579
where:
bonds (distance) C4'-P energy: -104.475
bonds (distance) P-C4' energy: -130.371
flat angles C4'-P-C4' energy: -107.425
flat angles P-C4'-P energy: -79.561
tors. eta vs tors. theta energy: -126.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1291.695168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.695168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.695168 (E_RNA)
where:
Base-Base interactions energy: -781.120
where: short stacking energy: -358.442
Base-Backbone interact. energy: -0.395
local terms energy: -510.180387
where:
bonds (distance) C4'-P energy: -113.029
bonds (distance) P-C4' energy: -114.529
flat angles C4'-P-C4' energy: -106.030
flat angles P-C4'-P energy: -85.877
tors. eta vs tors. theta energy: -90.716
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: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -916.094703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.094703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.094703 (E_RNA)
where:
Base-Base interactions energy: -523.831
where: short stacking energy: -249.725
Base-Backbone interact. energy: 2.764
local terms energy: -395.027661
where:
bonds (distance) C4'-P energy: -103.368
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -110.725
flat angles P-C4'-P energy: -52.731
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -668.492359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.492359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.492359 (E_RNA)
where:
Base-Base interactions energy: -331.540
where: short stacking energy: -186.212
Base-Backbone interact. energy: 7.977
local terms energy: -344.929748
where:
bonds (distance) C4'-P energy: -96.268
bonds (distance) P-C4' energy: -104.593
flat angles C4'-P-C4' energy: -108.257
flat angles P-C4'-P energy: -61.555
tors. eta vs tors. theta energy: 25.744
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: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2293.899166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.899166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.899166 (E_RNA)
where:
Base-Base interactions energy: -1574.986
where: short stacking energy: -676.024
Base-Backbone interact. energy: 2.401
local terms energy: -721.314378
where:
bonds (distance) C4'-P energy: -128.539
bonds (distance) P-C4' energy: -133.386
flat angles C4'-P-C4' energy: -153.809
flat angles P-C4'-P energy: -101.395
tors. eta vs tors. theta energy: -204.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2111.819127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.819127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.819127 (E_RNA)
where:
Base-Base interactions energy: -1480.908
where: short stacking energy: -639.393
Base-Backbone interact. energy: -2.781
local terms energy: -628.130096
where:
bonds (distance) C4'-P energy: -114.115
bonds (distance) P-C4' energy: -120.940
flat angles C4'-P-C4' energy: -138.347
flat angles P-C4'-P energy: -94.972
tors. eta vs tors. theta energy: -159.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2063.863683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.863683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.863683 (E_RNA)
where:
Base-Base interactions energy: -1392.957
where: short stacking energy: -615.533
Base-Backbone interact. energy: -0.451
local terms energy: -670.455513
where:
bonds (distance) C4'-P energy: -120.152
bonds (distance) P-C4' energy: -139.673
flat angles C4'-P-C4' energy: -141.007
flat angles P-C4'-P energy: -102.132
tors. eta vs tors. theta energy: -167.492
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1942.153977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.153977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.153977 (E_RNA)
where:
Base-Base interactions energy: -1318.477
where: short stacking energy: -544.785
Base-Backbone interact. energy: 0.767
local terms energy: -624.444102
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -137.233
flat angles C4'-P-C4' energy: -129.923
flat angles P-C4'-P energy: -92.629
tors. eta vs tors. theta energy: -147.099
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: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1780.526083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.526083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.526083 (E_RNA)
where:
Base-Base interactions energy: -1206.265
where: short stacking energy: -501.887
Base-Backbone interact. energy: -0.101
local terms energy: -574.159322
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -128.729
flat angles C4'-P-C4' energy: -122.096
flat angles P-C4'-P energy: -76.221
tors. eta vs tors. theta energy: -137.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1596.185480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.185480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.185480 (E_RNA)
where:
Base-Base interactions energy: -1052.103
where: short stacking energy: -456.818
Base-Backbone interact. energy: -0.482
local terms energy: -543.599827
where:
bonds (distance) C4'-P energy: -123.521
bonds (distance) P-C4' energy: -106.283
flat angles C4'-P-C4' energy: -112.279
flat angles P-C4'-P energy: -79.656
tors. eta vs tors. theta energy: -121.861
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1580.046304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.046304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.046304 (E_RNA)
where:
Base-Base interactions energy: -1061.954
where: short stacking energy: -465.818
Base-Backbone interact. energy: -3.508
local terms energy: -514.584995
where:
bonds (distance) C4'-P energy: -90.272
bonds (distance) P-C4' energy: -103.896
flat angles C4'-P-C4' energy: -119.540
flat angles P-C4'-P energy: -72.552
tors. eta vs tors. theta energy: -128.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1342.564254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.564254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.564254 (E_RNA)
where:
Base-Base interactions energy: -871.260
where: short stacking energy: -419.664
Base-Backbone interact. energy: 1.745
local terms energy: -473.049677
where:
bonds (distance) C4'-P energy: -93.705
bonds (distance) P-C4' energy: -111.287
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -78.790
tors. eta vs tors. theta energy: -85.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -938.357064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.357064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.357064 (E_RNA)
where:
Base-Base interactions energy: -524.804
where: short stacking energy: -278.674
Base-Backbone interact. energy: -3.073
local terms energy: -410.480620
where:
bonds (distance) C4'-P energy: -122.248
bonds (distance) P-C4' energy: -121.527
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -51.095
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -603.123161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.123161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.123161 (E_RNA)
where:
Base-Base interactions energy: -250.599
where: short stacking energy: -138.061
Base-Backbone interact. energy: 0.173
local terms energy: -352.697683
where:
bonds (distance) C4'-P energy: -110.402
bonds (distance) P-C4' energy: -122.824
flat angles C4'-P-C4' energy: -85.967
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: 11.942
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: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2274.620776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.620776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.620776 (E_RNA)
where:
Base-Base interactions energy: -1575.788
where: short stacking energy: -655.493
Base-Backbone interact. energy: -2.320
local terms energy: -696.512485
where:
bonds (distance) C4'-P energy: -121.630
bonds (distance) P-C4' energy: -133.837
flat angles C4'-P-C4' energy: -152.445
flat angles P-C4'-P energy: -105.846
tors. eta vs tors. theta energy: -182.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2136.617492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.617492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.617492 (E_RNA)
where:
Base-Base interactions energy: -1504.747
where: short stacking energy: -606.833
Base-Backbone interact. energy: -5.305
local terms energy: -626.565379
where:
bonds (distance) C4'-P energy: -131.324
bonds (distance) P-C4' energy: -118.741
flat angles C4'-P-C4' energy: -137.756
flat angles P-C4'-P energy: -92.310
tors. eta vs tors. theta energy: -146.435
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2027.629595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.629595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.629595 (E_RNA)
where:
Base-Base interactions energy: -1371.880
where: short stacking energy: -590.033
Base-Backbone interact. energy: -3.991
local terms energy: -651.758090
where:
bonds (distance) C4'-P energy: -129.494
bonds (distance) P-C4' energy: -128.230
flat angles C4'-P-C4' energy: -131.095
flat angles P-C4'-P energy: -82.752
tors. eta vs tors. theta energy: -180.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1909.975753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.975753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.975753 (E_RNA)
where:
Base-Base interactions energy: -1295.099
where: short stacking energy: -546.537
Base-Backbone interact. energy: 1.609
local terms energy: -616.485950
where:
bonds (distance) C4'-P energy: -123.525
bonds (distance) P-C4' energy: -127.644
flat angles C4'-P-C4' energy: -132.147
flat angles P-C4'-P energy: -81.422
tors. eta vs tors. theta energy: -151.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1729.333174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.333174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.333174 (E_RNA)
where:
Base-Base interactions energy: -1159.384
where: short stacking energy: -518.161
Base-Backbone interact. energy: -1.915
local terms energy: -568.034020
where:
bonds (distance) C4'-P energy: -116.102
bonds (distance) P-C4' energy: -113.110
flat angles C4'-P-C4' energy: -125.349
flat angles P-C4'-P energy: -81.223
tors. eta vs tors. theta energy: -132.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1558.665533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.665533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.665533 (E_RNA)
where:
Base-Base interactions energy: -1024.798
where: short stacking energy: -440.011
Base-Backbone interact. energy: -2.839
local terms energy: -531.028266
where:
bonds (distance) C4'-P energy: -122.442
bonds (distance) P-C4' energy: -108.710
flat angles C4'-P-C4' energy: -118.198
flat angles P-C4'-P energy: -60.979
tors. eta vs tors. theta energy: -120.699
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: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1563.042764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.042764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.042764 (E_RNA)
where:
Base-Base interactions energy: -1050.745
where: short stacking energy: -443.809
Base-Backbone interact. energy: 0.710
local terms energy: -513.007395
where:
bonds (distance) C4'-P energy: -90.733
bonds (distance) P-C4' energy: -108.675
flat angles C4'-P-C4' energy: -120.336
flat angles P-C4'-P energy: -79.745
tors. eta vs tors. theta energy: -113.518
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: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1360.249189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.249189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.249189 (E_RNA)
where:
Base-Base interactions energy: -891.853
where: short stacking energy: -420.004
Base-Backbone interact. energy: 4.392
local terms energy: -472.787988
where:
bonds (distance) C4'-P energy: -119.806
bonds (distance) P-C4' energy: -86.943
flat angles C4'-P-C4' energy: -107.863
flat angles P-C4'-P energy: -61.048
tors. eta vs tors. theta energy: -97.128
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: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -885.719568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.719568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.719568 (E_RNA)
where:
Base-Base interactions energy: -498.020
where: short stacking energy: -266.522
Base-Backbone interact. energy: 0.261
local terms energy: -387.961188
where:
bonds (distance) C4'-P energy: -89.989
bonds (distance) P-C4' energy: -111.905
flat angles C4'-P-C4' energy: -102.952
flat angles P-C4'-P energy: -58.029
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: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -583.467254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.467254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.467254 (E_RNA)
where:
Base-Base interactions energy: -264.671
where: short stacking energy: -200.405
Base-Backbone interact. energy: 0.177
local terms energy: -318.973774
where:
bonds (distance) C4'-P energy: -102.197
bonds (distance) P-C4' energy: -112.723
flat angles C4'-P-C4' energy: -91.237
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: 15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2270.414507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.414507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.414507 (E_RNA)
where:
Base-Base interactions energy: -1543.777
where: short stacking energy: -642.165
Base-Backbone interact. energy: -3.233
local terms energy: -723.404797
where:
bonds (distance) C4'-P energy: -141.601
bonds (distance) P-C4' energy: -136.032
flat angles C4'-P-C4' energy: -149.798
flat angles P-C4'-P energy: -109.907
tors. eta vs tors. theta energy: -186.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2165.178821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.178821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.178821 (E_RNA)
where:
Base-Base interactions energy: -1510.140
where: short stacking energy: -613.327
Base-Backbone interact. energy: -3.862
local terms energy: -651.177008
where:
bonds (distance) C4'-P energy: -114.008
bonds (distance) P-C4' energy: -144.120
flat angles C4'-P-C4' energy: -147.376
flat angles P-C4'-P energy: -92.730
tors. eta vs tors. theta energy: -152.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2044.975084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.975084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.975084 (E_RNA)
where:
Base-Base interactions energy: -1409.115
where: short stacking energy: -591.475
Base-Backbone interact. energy: -0.898
local terms energy: -634.962166
where:
bonds (distance) C4'-P energy: -116.983
bonds (distance) P-C4' energy: -123.589
flat angles C4'-P-C4' energy: -129.044
flat angles P-C4'-P energy: -95.422
tors. eta vs tors. theta energy: -169.924
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: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1941.262615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.262615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.262615 (E_RNA)
where:
Base-Base interactions energy: -1339.606
where: short stacking energy: -573.625
Base-Backbone interact. energy: 1.177
local terms energy: -602.833832
where:
bonds (distance) C4'-P energy: -93.964
bonds (distance) P-C4' energy: -129.245
flat angles C4'-P-C4' energy: -130.304
flat angles P-C4'-P energy: -84.499
tors. eta vs tors. theta energy: -164.822
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: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1813.070116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.070116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.070116 (E_RNA)
where:
Base-Base interactions energy: -1205.724
where: short stacking energy: -540.831
Base-Backbone interact. energy: -0.406
local terms energy: -606.939375
where:
bonds (distance) C4'-P energy: -105.026
bonds (distance) P-C4' energy: -131.562
flat angles C4'-P-C4' energy: -135.265
flat angles P-C4'-P energy: -95.523
tors. eta vs tors. theta energy: -139.564
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: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1613.348514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.348514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.348514 (E_RNA)
where:
Base-Base interactions energy: -1073.447
where: short stacking energy: -485.419
Base-Backbone interact. energy: -3.879
local terms energy: -536.023073
where:
bonds (distance) C4'-P energy: -114.019
bonds (distance) P-C4' energy: -112.359
flat angles C4'-P-C4' energy: -110.144
flat angles P-C4'-P energy: -87.182
tors. eta vs tors. theta energy: -112.319
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: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1634.018281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.018281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.018281 (E_RNA)
where:
Base-Base interactions energy: -1073.261
where: short stacking energy: -484.578
Base-Backbone interact. energy: -2.221
local terms energy: -558.535934
where:
bonds (distance) C4'-P energy: -119.488
bonds (distance) P-C4' energy: -124.617
flat angles C4'-P-C4' energy: -123.575
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -116.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1357.401376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.401376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.401376 (E_RNA)
where:
Base-Base interactions energy: -892.597
where: short stacking energy: -418.867
Base-Backbone interact. energy: 0.191
local terms energy: -464.995580
where:
bonds (distance) C4'-P energy: -101.144
bonds (distance) P-C4' energy: -106.803
flat angles C4'-P-C4' energy: -113.818
flat angles P-C4'-P energy: -53.459
tors. eta vs tors. theta energy: -89.771
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: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1011.996659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.996659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.996659 (E_RNA)
where:
Base-Base interactions energy: -603.380
where: short stacking energy: -312.045
Base-Backbone interact. energy: -1.604
local terms energy: -407.012816
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -117.892
flat angles C4'-P-C4' energy: -106.015
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -39.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -608.233329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.233329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.233329 (E_RNA)
where:
Base-Base interactions energy: -254.950
where: short stacking energy: -174.957
Base-Backbone interact. energy: 1.539
local terms energy: -354.822423
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -123.071
flat angles C4'-P-C4' energy: -84.358
flat angles P-C4'-P energy: -54.342
tors. eta vs tors. theta energy: 14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2262.757192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.757192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.757192 (E_RNA)
where:
Base-Base interactions energy: -1555.354
where: short stacking energy: -643.228
Base-Backbone interact. energy: 0.318
local terms energy: -707.721626
where:
bonds (distance) C4'-P energy: -111.435
bonds (distance) P-C4' energy: -139.999
flat angles C4'-P-C4' energy: -158.013
flat angles P-C4'-P energy: -108.468
tors. eta vs tors. theta energy: -189.807
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: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2176.073899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.073899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.073899 (E_RNA)
where:
Base-Base interactions energy: -1505.462
where: short stacking energy: -603.525
Base-Backbone interact. energy: -6.089
local terms energy: -664.522826
where:
bonds (distance) C4'-P energy: -125.481
bonds (distance) P-C4' energy: -136.577
flat angles C4'-P-C4' energy: -142.517
flat angles P-C4'-P energy: -101.408
tors. eta vs tors. theta energy: -158.540
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: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2053.130924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.130924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.130924 (E_RNA)
where:
Base-Base interactions energy: -1411.411
where: short stacking energy: -610.440
Base-Backbone interact. energy: -2.718
local terms energy: -639.001764
where:
bonds (distance) C4'-P energy: -117.456
bonds (distance) P-C4' energy: -134.485
flat angles C4'-P-C4' energy: -138.440
flat angles P-C4'-P energy: -77.719
tors. eta vs tors. theta energy: -170.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1984.377863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.377863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.377863 (E_RNA)
where:
Base-Base interactions energy: -1374.901
where: short stacking energy: -589.679
Base-Backbone interact. energy: -3.403
local terms energy: -606.073630
where:
bonds (distance) C4'-P energy: -112.625
bonds (distance) P-C4' energy: -110.532
flat angles C4'-P-C4' energy: -126.856
flat angles P-C4'-P energy: -91.350
tors. eta vs tors. theta energy: -164.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1762.339100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.339100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.339100 (E_RNA)
where:
Base-Base interactions energy: -1169.748
where: short stacking energy: -464.324
Base-Backbone interact. energy: -1.047
local terms energy: -591.543723
where:
bonds (distance) C4'-P energy: -124.005
bonds (distance) P-C4' energy: -124.462
flat angles C4'-P-C4' energy: -138.109
flat angles P-C4'-P energy: -87.294
tors. eta vs tors. theta energy: -117.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1616.935485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.935485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.935485 (E_RNA)
where:
Base-Base interactions energy: -1092.451
where: short stacking energy: -481.315
Base-Backbone interact. energy: -3.236
local terms energy: -521.248331
where:
bonds (distance) C4'-P energy: -119.199
bonds (distance) P-C4' energy: -106.076
flat angles C4'-P-C4' energy: -120.223
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -116.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1596.468882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.468882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.468882 (E_RNA)
where:
Base-Base interactions energy: -1056.199
where: short stacking energy: -455.861
Base-Backbone interact. energy: -1.372
local terms energy: -538.897950
where:
bonds (distance) C4'-P energy: -106.307
bonds (distance) P-C4' energy: -115.068
flat angles C4'-P-C4' energy: -125.695
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -123.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1355.198110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.198110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.198110 (E_RNA)
where:
Base-Base interactions energy: -860.014
where: short stacking energy: -413.287
Base-Backbone interact. energy: 4.785
local terms energy: -499.969039
where:
bonds (distance) C4'-P energy: -101.445
bonds (distance) P-C4' energy: -108.675
flat angles C4'-P-C4' energy: -119.119
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: -95.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -933.053370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.053370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.053370 (E_RNA)
where:
Base-Base interactions energy: -526.123
where: short stacking energy: -262.650
Base-Backbone interact. energy: 4.944
local terms energy: -411.874127
where:
bonds (distance) C4'-P energy: -118.661
bonds (distance) P-C4' energy: -111.059
flat angles C4'-P-C4' energy: -82.458
flat angles P-C4'-P energy: -62.392
tors. eta vs tors. theta energy: -37.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -613.898465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.898465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.898465 (E_RNA)
where:
Base-Base interactions energy: -284.483
where: short stacking energy: -169.646
Base-Backbone interact. energy: -0.645
local terms energy: -328.769865
where:
bonds (distance) C4'-P energy: -104.743
bonds (distance) P-C4' energy: -99.670
flat angles C4'-P-C4' energy: -89.283
flat angles P-C4'-P energy: -61.169
tors. eta vs tors. theta energy: 26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2210.424691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.424691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.424691 (E_RNA)
where:
Base-Base interactions energy: -1540.819
where: short stacking energy: -640.533
Base-Backbone interact. energy: -4.794
local terms energy: -664.811621
where:
bonds (distance) C4'-P energy: -124.869
bonds (distance) P-C4' energy: -144.102
flat angles C4'-P-C4' energy: -145.605
flat angles P-C4'-P energy: -85.550
tors. eta vs tors. theta energy: -164.685
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2187.189610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.189610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.189610 (E_RNA)
where:
Base-Base interactions energy: -1508.187
where: short stacking energy: -627.480
Base-Backbone interact. energy: -1.070
local terms energy: -677.932250
where:
bonds (distance) C4'-P energy: -116.321
bonds (distance) P-C4' energy: -129.987
flat angles C4'-P-C4' energy: -143.275
flat angles P-C4'-P energy: -106.121
tors. eta vs tors. theta energy: -182.228
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: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2050.091016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.091016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.091016 (E_RNA)
where:
Base-Base interactions energy: -1422.004
where: short stacking energy: -593.693
Base-Backbone interact. energy: -2.160
local terms energy: -625.927415
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -118.547
flat angles C4'-P-C4' energy: -130.367
flat angles P-C4'-P energy: -84.783
tors. eta vs tors. theta energy: -171.317
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: 128
Temperature: 1.050000
Total energy: -1992.402495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.402495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.402495 (E_RNA)
where:
Base-Base interactions energy: -1382.672
where: short stacking energy: -577.043
Base-Backbone interact. energy: -1.084
local terms energy: -608.646352
where:
bonds (distance) C4'-P energy: -105.959
bonds (distance) P-C4' energy: -134.066
flat angles C4'-P-C4' energy: -120.445
flat angles P-C4'-P energy: -88.902
tors. eta vs tors. theta energy: -159.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1788.065154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.065154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.065154 (E_RNA)
where:
Base-Base interactions energy: -1219.580
where: short stacking energy: -536.126
Base-Backbone interact. energy: 3.307
local terms energy: -571.791727
where:
bonds (distance) C4'-P energy: -118.466
bonds (distance) P-C4' energy: -116.121
flat angles C4'-P-C4' energy: -131.867
flat angles P-C4'-P energy: -81.172
tors. eta vs tors. theta energy: -124.166
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: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1635.886758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.886758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.886758 (E_RNA)
where:
Base-Base interactions energy: -1094.216
where: short stacking energy: -481.542
Base-Backbone interact. energy: 3.533
local terms energy: -545.203714
where:
bonds (distance) C4'-P energy: -112.227
bonds (distance) P-C4' energy: -114.479
flat angles C4'-P-C4' energy: -118.711
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -123.053
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: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1570.582728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.582728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.582728 (E_RNA)
where:
Base-Base interactions energy: -1022.392
where: short stacking energy: -430.485
Base-Backbone interact. energy: -0.539
local terms energy: -547.651692
where:
bonds (distance) C4'-P energy: -130.340
bonds (distance) P-C4' energy: -95.742
flat angles C4'-P-C4' energy: -115.953
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -121.603
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: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1354.712230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.712230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.712230 (E_RNA)
where:
Base-Base interactions energy: -841.789
where: short stacking energy: -390.870
Base-Backbone interact. energy: 1.215
local terms energy: -514.138348
where:
bonds (distance) C4'-P energy: -119.611
bonds (distance) P-C4' energy: -122.836
flat angles C4'-P-C4' energy: -101.226
flat angles P-C4'-P energy: -76.410
tors. eta vs tors. theta energy: -94.055
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: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -927.594467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.594467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.594467 (E_RNA)
where:
Base-Base interactions energy: -507.846
where: short stacking energy: -265.881
Base-Backbone interact. energy: -2.512
local terms energy: -417.236719
where:
bonds (distance) C4'-P energy: -116.669
bonds (distance) P-C4' energy: -115.942
flat angles C4'-P-C4' energy: -108.839
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -37.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -593.156808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.156808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.156808 (E_RNA)
where:
Base-Base interactions energy: -250.488
where: short stacking energy: -164.673
Base-Backbone interact. energy: 2.635
local terms energy: -345.303711
where:
bonds (distance) C4'-P energy: -105.332
bonds (distance) P-C4' energy: -99.926
flat angles C4'-P-C4' energy: -82.999
flat angles P-C4'-P energy: -56.490
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2240.269767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.269767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.269767 (E_RNA)
where:
Base-Base interactions energy: -1581.087
where: short stacking energy: -637.100
Base-Backbone interact. energy: -0.168
local terms energy: -659.015041
where:
bonds (distance) C4'-P energy: -137.909
bonds (distance) P-C4' energy: -121.475
flat angles C4'-P-C4' energy: -140.195
flat angles P-C4'-P energy: -99.484
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: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2185.016266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.016266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.016266 (E_RNA)
where:
Base-Base interactions energy: -1512.645
where: short stacking energy: -631.581
Base-Backbone interact. energy: -4.554
local terms energy: -667.817614
where:
bonds (distance) C4'-P energy: -131.075
bonds (distance) P-C4' energy: -115.663
flat angles C4'-P-C4' energy: -137.055
flat angles P-C4'-P energy: -97.548
tors. eta vs tors. theta energy: -186.476
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2084.310252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.310252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.310252 (E_RNA)
where:
Base-Base interactions energy: -1430.568
where: short stacking energy: -605.677
Base-Backbone interact. energy: -2.356
local terms energy: -651.386265
where:
bonds (distance) C4'-P energy: -113.769
bonds (distance) P-C4' energy: -132.011
flat angles C4'-P-C4' energy: -141.292
flat angles P-C4'-P energy: -88.209
tors. eta vs tors. theta energy: -176.105
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2006.628296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.628296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.628296 (E_RNA)
where:
Base-Base interactions energy: -1368.678
where: short stacking energy: -575.556
Base-Backbone interact. energy: -1.252
local terms energy: -636.697709
where:
bonds (distance) C4'-P energy: -123.451
bonds (distance) P-C4' energy: -125.035
flat angles C4'-P-C4' energy: -132.226
flat angles P-C4'-P energy: -91.810
tors. eta vs tors. theta energy: -164.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1792.403389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.403389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.403389 (E_RNA)
where:
Base-Base interactions energy: -1235.792
where: short stacking energy: -518.395
Base-Backbone interact. energy: -1.726
local terms energy: -554.885962
where:
bonds (distance) C4'-P energy: -119.192
bonds (distance) P-C4' energy: -126.503
flat angles C4'-P-C4' energy: -108.686
flat angles P-C4'-P energy: -77.441
tors. eta vs tors. theta energy: -123.063
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: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1611.103415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.103415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.103415 (E_RNA)
where:
Base-Base interactions energy: -1066.078
where: short stacking energy: -488.146
Base-Backbone interact. energy: -1.178
local terms energy: -543.847774
where:
bonds (distance) C4'-P energy: -119.588
bonds (distance) P-C4' energy: -112.253
flat angles C4'-P-C4' energy: -118.714
flat angles P-C4'-P energy: -79.412
tors. eta vs tors. theta energy: -113.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1624.627306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.627306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.627306 (E_RNA)
where:
Base-Base interactions energy: -1095.283
where: short stacking energy: -478.125
Base-Backbone interact. energy: -1.982
local terms energy: -527.362680
where:
bonds (distance) C4'-P energy: -110.926
bonds (distance) P-C4' energy: -117.604
flat angles C4'-P-C4' energy: -117.429
flat angles P-C4'-P energy: -60.627
tors. eta vs tors. theta energy: -120.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1360.161007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.161007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.161007 (E_RNA)
where:
Base-Base interactions energy: -870.653
where: short stacking energy: -371.029
Base-Backbone interact. energy: -0.065
local terms energy: -489.443286
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -103.206
flat angles C4'-P-C4' energy: -120.476
flat angles P-C4'-P energy: -72.852
tors. eta vs tors. theta energy: -98.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -967.313007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.313007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.313007 (E_RNA)
where:
Base-Base interactions energy: -555.622
where: short stacking energy: -268.209
Base-Backbone interact. energy: 1.128
local terms energy: -412.818586
where:
bonds (distance) C4'-P energy: -110.364
bonds (distance) P-C4' energy: -124.299
flat angles C4'-P-C4' energy: -105.690
flat angles P-C4'-P energy: -49.649
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -598.040873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.040873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.040873 (E_RNA)
where:
Base-Base interactions energy: -268.682
where: short stacking energy: -172.389
Base-Backbone interact. energy: 2.534
local terms energy: -331.893129
where:
bonds (distance) C4'-P energy: -106.898
bonds (distance) P-C4' energy: -98.786
flat angles C4'-P-C4' energy: -77.010
flat angles P-C4'-P energy: -58.092
tors. eta vs tors. theta energy: 8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2255.003459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.003459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.003459 (E_RNA)
where:
Base-Base interactions energy: -1615.363
where: short stacking energy: -642.626
Base-Backbone interact. energy: -5.721
local terms energy: -633.919447
where:
bonds (distance) C4'-P energy: -125.459
bonds (distance) P-C4' energy: -116.075
flat angles C4'-P-C4' energy: -140.991
flat angles P-C4'-P energy: -98.089
tors. eta vs tors. theta energy: -153.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2214.520991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.520991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.520991 (E_RNA)
where:
Base-Base interactions energy: -1537.144
where: short stacking energy: -648.140
Base-Backbone interact. energy: -1.437
local terms energy: -675.940335
where:
bonds (distance) C4'-P energy: -123.292
bonds (distance) P-C4' energy: -133.912
flat angles C4'-P-C4' energy: -153.722
flat angles P-C4'-P energy: -85.332
tors. eta vs tors. theta energy: -179.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2035.340470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.340470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.340470 (E_RNA)
where:
Base-Base interactions energy: -1384.517
where: short stacking energy: -613.132
Base-Backbone interact. energy: 2.310
local terms energy: -653.133302
where:
bonds (distance) C4'-P energy: -115.086
bonds (distance) P-C4' energy: -129.511
flat angles C4'-P-C4' energy: -134.847
flat angles P-C4'-P energy: -97.465
tors. eta vs tors. theta energy: -176.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1987.227723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.227723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.227723 (E_RNA)
where:
Base-Base interactions energy: -1338.098
where: short stacking energy: -580.467
Base-Backbone interact. energy: -1.442
local terms energy: -647.688414
where:
bonds (distance) C4'-P energy: -116.148
bonds (distance) P-C4' energy: -130.213
flat angles C4'-P-C4' energy: -143.992
flat angles P-C4'-P energy: -86.530
tors. eta vs tors. theta energy: -170.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1688.997339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.997339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.997339 (E_RNA)
where:
Base-Base interactions energy: -1135.725
where: short stacking energy: -515.852
Base-Backbone interact. energy: 1.028
local terms energy: -554.300196
where:
bonds (distance) C4'-P energy: -117.524
bonds (distance) P-C4' energy: -118.413
flat angles C4'-P-C4' energy: -112.304
flat angles P-C4'-P energy: -79.822
tors. eta vs tors. theta energy: -126.237
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: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1726.113394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.113394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.113394 (E_RNA)
where:
Base-Base interactions energy: -1132.378
where: short stacking energy: -500.563
Base-Backbone interact. energy: -3.198
local terms energy: -590.537665
where:
bonds (distance) C4'-P energy: -125.075
bonds (distance) P-C4' energy: -110.954
flat angles C4'-P-C4' energy: -138.313
flat angles P-C4'-P energy: -80.396
tors. eta vs tors. theta energy: -135.799
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: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1616.090940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.090940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.090940 (E_RNA)
where:
Base-Base interactions energy: -1055.734
where: short stacking energy: -474.985
Base-Backbone interact. energy: -3.838
local terms energy: -556.519440
where:
bonds (distance) C4'-P energy: -110.782
bonds (distance) P-C4' energy: -118.092
flat angles C4'-P-C4' energy: -117.848
flat angles P-C4'-P energy: -83.428
tors. eta vs tors. theta energy: -126.369
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1330.260041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.260041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.260041 (E_RNA)
where:
Base-Base interactions energy: -859.075
where: short stacking energy: -385.994
Base-Backbone interact. energy: -3.465
local terms energy: -467.720175
where:
bonds (distance) C4'-P energy: -109.940
bonds (distance) P-C4' energy: -110.641
flat angles C4'-P-C4' energy: -106.612
flat angles P-C4'-P energy: -62.124
tors. eta vs tors. theta energy: -78.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -900.993337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.993337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.993337 (E_RNA)
where:
Base-Base interactions energy: -493.263
where: short stacking energy: -261.957
Base-Backbone interact. energy: -2.337
local terms energy: -405.393684
where:
bonds (distance) C4'-P energy: -99.654
bonds (distance) P-C4' energy: -116.557
flat angles C4'-P-C4' energy: -86.847
flat angles P-C4'-P energy: -66.611
tors. eta vs tors. theta energy: -35.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -585.137327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.137327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.137327 (E_RNA)
where:
Base-Base interactions energy: -251.896
where: short stacking energy: -177.927
Base-Backbone interact. energy: 7.227
local terms energy: -340.469014
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -94.754
flat angles C4'-P-C4' energy: -115.790
flat angles P-C4'-P energy: -45.438
tors. eta vs tors. theta energy: 7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2271.356918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.356918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.356918 (E_RNA)
where:
Base-Base interactions energy: -1565.418
where: short stacking energy: -632.654
Base-Backbone interact. energy: -3.525
local terms energy: -702.413876
where:
bonds (distance) C4'-P energy: -134.318
bonds (distance) P-C4' energy: -144.871
flat angles C4'-P-C4' energy: -149.336
flat angles P-C4'-P energy: -101.943
tors. eta vs tors. theta energy: -171.945
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: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2117.429640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.429640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.429640 (E_RNA)
where:
Base-Base interactions energy: -1429.625
where: short stacking energy: -612.571
Base-Backbone interact. energy: -2.473
local terms energy: -685.331568
where:
bonds (distance) C4'-P energy: -129.153
bonds (distance) P-C4' energy: -143.592
flat angles C4'-P-C4' energy: -144.393
flat angles P-C4'-P energy: -97.231
tors. eta vs tors. theta energy: -170.961
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: 131
Temperature: 1.000000
Total energy: -2183.828446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.828446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.828446 (E_RNA)
where:
Base-Base interactions energy: -1495.451
where: short stacking energy: -594.310
Base-Backbone interact. energy: -0.072
local terms energy: -688.305234
where:
bonds (distance) C4'-P energy: -131.457
bonds (distance) P-C4' energy: -131.115
flat angles C4'-P-C4' energy: -148.030
flat angles P-C4'-P energy: -98.917
tors. eta vs tors. theta energy: -178.786
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: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2014.821465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.821465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.821465 (E_RNA)
where:
Base-Base interactions energy: -1394.404
where: short stacking energy: -582.533
Base-Backbone interact. energy: -6.372
local terms energy: -614.045613
where:
bonds (distance) C4'-P energy: -111.475
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -133.321
flat angles P-C4'-P energy: -87.046
tors. eta vs tors. theta energy: -159.744
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: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1675.332258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.332258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.332258 (E_RNA)
where:
Base-Base interactions energy: -1098.038
where: short stacking energy: -485.664
Base-Backbone interact. energy: -0.838
local terms energy: -576.455567
where:
bonds (distance) C4'-P energy: -104.066
bonds (distance) P-C4' energy: -127.323
flat angles C4'-P-C4' energy: -137.422
flat angles P-C4'-P energy: -80.838
tors. eta vs tors. theta energy: -126.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1672.119311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.119311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.119311 (E_RNA)
where:
Base-Base interactions energy: -1132.055
where: short stacking energy: -463.348
Base-Backbone interact. energy: 0.825
local terms energy: -540.889261
where:
bonds (distance) C4'-P energy: -116.034
bonds (distance) P-C4' energy: -116.624
flat angles C4'-P-C4' energy: -128.579
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: -105.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1619.277535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.277535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.277535 (E_RNA)
where:
Base-Base interactions energy: -1053.903
where: short stacking energy: -470.385
Base-Backbone interact. energy: -0.654
local terms energy: -564.721177
where:
bonds (distance) C4'-P energy: -120.775
bonds (distance) P-C4' energy: -119.405
flat angles C4'-P-C4' energy: -123.181
flat angles P-C4'-P energy: -80.657
tors. eta vs tors. theta energy: -120.704
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: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1333.750787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.750787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.750787 (E_RNA)
where:
Base-Base interactions energy: -869.046
where: short stacking energy: -402.831
Base-Backbone interact. energy: -2.821
local terms energy: -461.884345
where:
bonds (distance) C4'-P energy: -92.721
bonds (distance) P-C4' energy: -97.516
flat angles C4'-P-C4' energy: -118.810
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -73.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -870.071338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.071338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.071338 (E_RNA)
where:
Base-Base interactions energy: -475.824
where: short stacking energy: -261.434
Base-Backbone interact. energy: -3.006
local terms energy: -391.241364
where:
bonds (distance) C4'-P energy: -77.783
bonds (distance) P-C4' energy: -107.612
flat angles C4'-P-C4' energy: -85.572
flat angles P-C4'-P energy: -73.628
tors. eta vs tors. theta energy: -46.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -590.236329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.236329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.236329 (E_RNA)
where:
Base-Base interactions energy: -275.374
where: short stacking energy: -180.942
Base-Backbone interact. energy: 1.880
local terms energy: -316.742157
where:
bonds (distance) C4'-P energy: -99.295
bonds (distance) P-C4' energy: -98.789
flat angles C4'-P-C4' energy: -80.575
flat angles P-C4'-P energy: -54.953
tors. eta vs tors. theta energy: 16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2269.907657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.907657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.907657 (E_RNA)
where:
Base-Base interactions energy: -1608.509
where: short stacking energy: -642.372
Base-Backbone interact. energy: -5.162
local terms energy: -656.236572
where:
bonds (distance) C4'-P energy: -119.369
bonds (distance) P-C4' energy: -132.610
flat angles C4'-P-C4' energy: -149.319
flat angles P-C4'-P energy: -91.817
tors. eta vs tors. theta energy: -163.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2109.282021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.282021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.282021 (E_RNA)
where:
Base-Base interactions energy: -1433.514
where: short stacking energy: -649.260
Base-Backbone interact. energy: -3.157
local terms energy: -672.611000
where:
bonds (distance) C4'-P energy: -121.891
bonds (distance) P-C4' energy: -130.656
flat angles C4'-P-C4' energy: -157.765
flat angles P-C4'-P energy: -86.863
tors. eta vs tors. theta energy: -175.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2149.232767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.232767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.232767 (E_RNA)
where:
Base-Base interactions energy: -1503.758
where: short stacking energy: -616.893
Base-Backbone interact. energy: -3.760
local terms energy: -641.714339
where:
bonds (distance) C4'-P energy: -121.611
bonds (distance) P-C4' energy: -118.764
flat angles C4'-P-C4' energy: -133.684
flat angles P-C4'-P energy: -100.388
tors. eta vs tors. theta energy: -167.268
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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2101.952957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.952957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.952957 (E_RNA)
where:
Base-Base interactions energy: -1434.363
where: short stacking energy: -612.191
Base-Backbone interact. energy: 1.426
local terms energy: -669.015387
where:
bonds (distance) C4'-P energy: -120.298
bonds (distance) P-C4' energy: -132.568
flat angles C4'-P-C4' energy: -147.217
flat angles P-C4'-P energy: -97.422
tors. eta vs tors. theta energy: -171.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1652.362703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.362703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.362703 (E_RNA)
where:
Base-Base interactions energy: -1063.456
where: short stacking energy: -488.017
Base-Backbone interact. energy: -2.733
local terms energy: -586.174119
where:
bonds (distance) C4'-P energy: -115.148
bonds (distance) P-C4' energy: -122.088
flat angles C4'-P-C4' energy: -130.384
flat angles P-C4'-P energy: -81.060
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: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1647.328592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.328592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.328592 (E_RNA)
where:
Base-Base interactions energy: -1102.668
where: short stacking energy: -516.114
Base-Backbone interact. energy: 1.215
local terms energy: -545.875390
where:
bonds (distance) C4'-P energy: -112.017
bonds (distance) P-C4' energy: -120.223
flat angles C4'-P-C4' energy: -118.464
flat angles P-C4'-P energy: -80.864
tors. eta vs tors. theta energy: -114.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1631.790121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.790121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.790121 (E_RNA)
where:
Base-Base interactions energy: -1081.464
where: short stacking energy: -490.505
Base-Backbone interact. energy: -3.039
local terms energy: -547.286899
where:
bonds (distance) C4'-P energy: -114.717
bonds (distance) P-C4' energy: -95.362
flat angles C4'-P-C4' energy: -129.189
flat angles P-C4'-P energy: -86.017
tors. eta vs tors. theta energy: -122.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1369.717879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.717879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.717879 (E_RNA)
where:
Base-Base interactions energy: -885.941
where: short stacking energy: -407.526
Base-Backbone interact. energy: 2.717
local terms energy: -486.493392
where:
bonds (distance) C4'-P energy: -105.231
bonds (distance) P-C4' energy: -127.618
flat angles C4'-P-C4' energy: -107.381
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -84.252
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: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -888.967536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.967536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.967536 (E_RNA)
where:
Base-Base interactions energy: -477.430
where: short stacking energy: -272.063
Base-Backbone interact. energy: -2.821
local terms energy: -408.716300
where:
bonds (distance) C4'-P energy: -103.925
bonds (distance) P-C4' energy: -95.639
flat angles C4'-P-C4' energy: -106.253
flat angles P-C4'-P energy: -59.855
tors. eta vs tors. theta energy: -43.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -609.846373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.846373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.846373 (E_RNA)
where:
Base-Base interactions energy: -264.449
where: short stacking energy: -170.796
Base-Backbone interact. energy: -1.308
local terms energy: -344.088466
where:
bonds (distance) C4'-P energy: -106.748
bonds (distance) P-C4' energy: -116.175
flat angles C4'-P-C4' energy: -99.594
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: 19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2270.953086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.953086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.953086 (E_RNA)
where:
Base-Base interactions energy: -1605.955
where: short stacking energy: -648.251
Base-Backbone interact. energy: -2.388
local terms energy: -662.609608
where:
bonds (distance) C4'-P energy: -123.413
bonds (distance) P-C4' energy: -128.536
flat angles C4'-P-C4' energy: -143.749
flat angles P-C4'-P energy: -94.920
tors. eta vs tors. theta energy: -171.991
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: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2185.218068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.218068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.218068 (E_RNA)
where:
Base-Base interactions energy: -1511.856
where: short stacking energy: -633.120
Base-Backbone interact. energy: 2.268
local terms energy: -675.629574
where:
bonds (distance) C4'-P energy: -127.503
bonds (distance) P-C4' energy: -124.406
flat angles C4'-P-C4' energy: -148.711
flat angles P-C4'-P energy: -93.575
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2075.837487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.837487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.837487 (E_RNA)
where:
Base-Base interactions energy: -1406.083
where: short stacking energy: -628.169
Base-Backbone interact. energy: -0.026
local terms energy: -669.728992
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -129.933
flat angles C4'-P-C4' energy: -137.050
flat angles P-C4'-P energy: -93.430
tors. eta vs tors. theta energy: -188.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2020.701829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.701829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.701829 (E_RNA)
where:
Base-Base interactions energy: -1393.758
where: short stacking energy: -597.609
Base-Backbone interact. energy: 2.069
local terms energy: -629.012406
where:
bonds (distance) C4'-P energy: -107.156
bonds (distance) P-C4' energy: -121.489
flat angles C4'-P-C4' energy: -143.120
flat angles P-C4'-P energy: -98.341
tors. eta vs tors. theta energy: -158.906
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1655.068192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.068192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.068192 (E_RNA)
where:
Base-Base interactions energy: -1100.716
where: short stacking energy: -495.647
Base-Backbone interact. energy: 1.335
local terms energy: -555.687472
where:
bonds (distance) C4'-P energy: -101.217
bonds (distance) P-C4' energy: -119.613
flat angles C4'-P-C4' energy: -123.704
flat angles P-C4'-P energy: -84.103
tors. eta vs tors. theta energy: -127.050
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: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1672.324562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.324562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.324562 (E_RNA)
where:
Base-Base interactions energy: -1107.656
where: short stacking energy: -500.212
Base-Backbone interact. energy: -2.929
local terms energy: -561.738751
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -111.264
flat angles C4'-P-C4' energy: -133.915
flat angles P-C4'-P energy: -84.811
tors. eta vs tors. theta energy: -132.584
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: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1686.361221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.361221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.361221 (E_RNA)
where:
Base-Base interactions energy: -1120.794
where: short stacking energy: -480.724
Base-Backbone interact. energy: -1.344
local terms energy: -564.222729
where:
bonds (distance) C4'-P energy: -101.725
bonds (distance) P-C4' energy: -123.669
flat angles C4'-P-C4' energy: -132.741
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -125.770
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: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1355.548904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.548904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.548904 (E_RNA)
where:
Base-Base interactions energy: -861.189
where: short stacking energy: -411.265
Base-Backbone interact. energy: -3.247
local terms energy: -491.112747
where:
bonds (distance) C4'-P energy: -107.007
bonds (distance) P-C4' energy: -117.026
flat angles C4'-P-C4' energy: -112.881
flat angles P-C4'-P energy: -68.161
tors. eta vs tors. theta energy: -86.038
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: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -836.157709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.157709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.157709 (E_RNA)
where:
Base-Base interactions energy: -442.909
where: short stacking energy: -263.762
Base-Backbone interact. energy: -1.447
local terms energy: -391.801665
where:
bonds (distance) C4'-P energy: -107.795
bonds (distance) P-C4' energy: -99.627
flat angles C4'-P-C4' energy: -100.180
flat angles P-C4'-P energy: -65.015
tors. eta vs tors. theta energy: -19.185
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -544.323975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.323975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.323975 (E_RNA)
where:
Base-Base interactions energy: -239.023
where: short stacking energy: -148.828
Base-Backbone interact. energy: 0.228
local terms energy: -305.528916
where:
bonds (distance) C4'-P energy: -86.028
bonds (distance) P-C4' energy: -118.184
flat angles C4'-P-C4' energy: -74.312
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: 9.275
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: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2258.832265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.832265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.832265 (E_RNA)
where:
Base-Base interactions energy: -1589.558
where: short stacking energy: -655.834
Base-Backbone interact. energy: -2.224
local terms energy: -667.050152
where:
bonds (distance) C4'-P energy: -139.434
bonds (distance) P-C4' energy: -120.516
flat angles C4'-P-C4' energy: -137.522
flat angles P-C4'-P energy: -100.758
tors. eta vs tors. theta energy: -168.821
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: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2182.653070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.653070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.653070 (E_RNA)
where:
Base-Base interactions energy: -1487.748
where: short stacking energy: -648.744
Base-Backbone interact. energy: -2.961
local terms energy: -691.944711
where:
bonds (distance) C4'-P energy: -124.191
bonds (distance) P-C4' energy: -124.435
flat angles C4'-P-C4' energy: -147.404
flat angles P-C4'-P energy: -111.826
tors. eta vs tors. theta energy: -184.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2039.413525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.413525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.413525 (E_RNA)
where:
Base-Base interactions energy: -1389.508
where: short stacking energy: -622.801
Base-Backbone interact. energy: 1.221
local terms energy: -651.126013
where:
bonds (distance) C4'-P energy: -129.149
bonds (distance) P-C4' energy: -122.468
flat angles C4'-P-C4' energy: -130.367
flat angles P-C4'-P energy: -86.294
tors. eta vs tors. theta energy: -182.847
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2006.414582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.414582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.414582 (E_RNA)
where:
Base-Base interactions energy: -1356.900
where: short stacking energy: -568.404
Base-Backbone interact. energy: -4.755
local terms energy: -644.760063
where:
bonds (distance) C4'-P energy: -129.284
bonds (distance) P-C4' energy: -122.023
flat angles C4'-P-C4' energy: -140.681
flat angles P-C4'-P energy: -86.875
tors. eta vs tors. theta energy: -165.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1757.089353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.089353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.089353 (E_RNA)
where:
Base-Base interactions energy: -1163.728
where: short stacking energy: -509.504
Base-Backbone interact. energy: -0.321
local terms energy: -593.040881
where:
bonds (distance) C4'-P energy: -118.197
bonds (distance) P-C4' energy: -116.696
flat angles C4'-P-C4' energy: -138.087
flat angles P-C4'-P energy: -95.170
tors. eta vs tors. theta energy: -124.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1599.081840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.081840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.081840 (E_RNA)
where:
Base-Base interactions energy: -1072.080
where: short stacking energy: -468.067
Base-Backbone interact. energy: -2.828
local terms energy: -524.173845
where:
bonds (distance) C4'-P energy: -112.948
bonds (distance) P-C4' energy: -119.459
flat angles C4'-P-C4' energy: -108.784
flat angles P-C4'-P energy: -73.754
tors. eta vs tors. theta energy: -109.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1534.770406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.770406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.770406 (E_RNA)
where:
Base-Base interactions energy: -1020.896
where: short stacking energy: -459.477
Base-Backbone interact. energy: -2.001
local terms energy: -511.873132
where:
bonds (distance) C4'-P energy: -118.770
bonds (distance) P-C4' energy: -110.555
flat angles C4'-P-C4' energy: -119.847
flat angles P-C4'-P energy: -74.612
tors. eta vs tors. theta energy: -88.090
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: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1352.249955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.249955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.249955 (E_RNA)
where:
Base-Base interactions energy: -865.926
where: short stacking energy: -388.088
Base-Backbone interact. energy: -1.614
local terms energy: -484.709477
where:
bonds (distance) C4'-P energy: -101.910
bonds (distance) P-C4' energy: -107.928
flat angles C4'-P-C4' energy: -102.846
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -88.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -830.618416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.618416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.618416 (E_RNA)
where:
Base-Base interactions energy: -454.958
where: short stacking energy: -265.628
Base-Backbone interact. energy: 1.157
local terms energy: -376.817103
where:
bonds (distance) C4'-P energy: -106.967
bonds (distance) P-C4' energy: -111.499
flat angles C4'-P-C4' energy: -68.968
flat angles P-C4'-P energy: -65.390
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -608.891212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.891212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.891212 (E_RNA)
where:
Base-Base interactions energy: -262.265
where: short stacking energy: -161.439
Base-Backbone interact. energy: 1.087
local terms energy: -347.713686
where:
bonds (distance) C4'-P energy: -104.312
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -86.741
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: 13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2277.544445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.544445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.544445 (E_RNA)
where:
Base-Base interactions energy: -1585.413
where: short stacking energy: -640.691
Base-Backbone interact. energy: -7.437
local terms energy: -684.694076
where:
bonds (distance) C4'-P energy: -130.580
bonds (distance) P-C4' energy: -138.467
flat angles C4'-P-C4' energy: -142.330
flat angles P-C4'-P energy: -105.454
tors. eta vs tors. theta energy: -167.863
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: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2200.297043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.297043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.297043 (E_RNA)
where:
Base-Base interactions energy: -1505.627
where: short stacking energy: -634.226
Base-Backbone interact. energy: 2.842
local terms energy: -697.512208
where:
bonds (distance) C4'-P energy: -125.386
bonds (distance) P-C4' energy: -153.572
flat angles C4'-P-C4' energy: -144.601
flat angles P-C4'-P energy: -90.847
tors. eta vs tors. theta energy: -183.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2056.589007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.589007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.589007 (E_RNA)
where:
Base-Base interactions energy: -1398.654
where: short stacking energy: -609.380
Base-Backbone interact. energy: -2.798
local terms energy: -655.136643
where:
bonds (distance) C4'-P energy: -116.952
bonds (distance) P-C4' energy: -132.198
flat angles C4'-P-C4' energy: -132.192
flat angles P-C4'-P energy: -92.732
tors. eta vs tors. theta energy: -181.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1989.898901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.898901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.898901 (E_RNA)
where:
Base-Base interactions energy: -1375.267
where: short stacking energy: -566.074
Base-Backbone interact. energy: 0.251
local terms energy: -614.883399
where:
bonds (distance) C4'-P energy: -117.788
bonds (distance) P-C4' energy: -129.839
flat angles C4'-P-C4' energy: -128.551
flat angles P-C4'-P energy: -91.978
tors. eta vs tors. theta energy: -146.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1694.217694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.217694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.217694 (E_RNA)
where:
Base-Base interactions energy: -1136.820
where: short stacking energy: -508.669
Base-Backbone interact. energy: 3.173
local terms energy: -560.570037
where:
bonds (distance) C4'-P energy: -119.344
bonds (distance) P-C4' energy: -116.734
flat angles C4'-P-C4' energy: -122.400
flat angles P-C4'-P energy: -68.661
tors. eta vs tors. theta energy: -133.431
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: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1633.400077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.400077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.400077 (E_RNA)
where:
Base-Base interactions energy: -1106.223
where: short stacking energy: -479.915
Base-Backbone interact. energy: -2.557
local terms energy: -524.620489
where:
bonds (distance) C4'-P energy: -106.498
bonds (distance) P-C4' energy: -101.110
flat angles C4'-P-C4' energy: -128.334
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -125.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1490.081776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.081776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.081776 (E_RNA)
where:
Base-Base interactions energy: -977.035
where: short stacking energy: -420.479
Base-Backbone interact. energy: -2.155
local terms energy: -510.891502
where:
bonds (distance) C4'-P energy: -83.562
bonds (distance) P-C4' energy: -135.118
flat angles C4'-P-C4' energy: -116.900
flat angles P-C4'-P energy: -73.827
tors. eta vs tors. theta energy: -101.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1322.563009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.563009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.563009 (E_RNA)
where:
Base-Base interactions energy: -835.971
where: short stacking energy: -426.100
Base-Backbone interact. energy: 0.170
local terms energy: -486.762310
where:
bonds (distance) C4'-P energy: -107.516
bonds (distance) P-C4' energy: -109.975
flat angles C4'-P-C4' energy: -91.178
flat angles P-C4'-P energy: -73.882
tors. eta vs tors. theta energy: -104.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -914.297042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.297042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.297042 (E_RNA)
where:
Base-Base interactions energy: -521.337
where: short stacking energy: -257.403
Base-Backbone interact. energy: -2.911
local terms energy: -390.048982
where:
bonds (distance) C4'-P energy: -108.944
bonds (distance) P-C4' energy: -117.443
flat angles C4'-P-C4' energy: -95.305
flat angles P-C4'-P energy: -57.211
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -654.563700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.563700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.563700 (E_RNA)
where:
Base-Base interactions energy: -262.521
where: short stacking energy: -183.762
Base-Backbone interact. energy: 4.048
local terms energy: -396.090459
where:
bonds (distance) C4'-P energy: -109.569
bonds (distance) P-C4' energy: -130.276
flat angles C4'-P-C4' energy: -79.138
flat angles P-C4'-P energy: -73.514
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2288.067318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.067318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.067318 (E_RNA)
where:
Base-Base interactions energy: -1602.052
where: short stacking energy: -672.068
Base-Backbone interact. energy: -4.210
local terms energy: -681.804832
where:
bonds (distance) C4'-P energy: -129.257
bonds (distance) P-C4' energy: -133.502
flat angles C4'-P-C4' energy: -147.482
flat angles P-C4'-P energy: -98.078
tors. eta vs tors. theta energy: -173.485
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: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2189.119029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.119029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.119029 (E_RNA)
where:
Base-Base interactions energy: -1496.164
where: short stacking energy: -643.708
Base-Backbone interact. energy: -3.281
local terms energy: -689.674703
where:
bonds (distance) C4'-P energy: -124.740
bonds (distance) P-C4' energy: -143.020
flat angles C4'-P-C4' energy: -152.461
flat angles P-C4'-P energy: -83.097
tors. eta vs tors. theta energy: -186.357
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: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2050.402559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.402559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.402559 (E_RNA)
where:
Base-Base interactions energy: -1383.629
where: short stacking energy: -614.769
Base-Backbone interact. energy: -2.485
local terms energy: -664.288601
where:
bonds (distance) C4'-P energy: -136.208
bonds (distance) P-C4' energy: -114.507
flat angles C4'-P-C4' energy: -151.910
flat angles P-C4'-P energy: -78.442
tors. eta vs tors. theta energy: -183.222
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: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2044.806383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.806383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.806383 (E_RNA)
where:
Base-Base interactions energy: -1385.443
where: short stacking energy: -598.859
Base-Backbone interact. energy: -1.997
local terms energy: -657.366730
where:
bonds (distance) C4'-P energy: -121.568
bonds (distance) P-C4' energy: -125.745
flat angles C4'-P-C4' energy: -132.160
flat angles P-C4'-P energy: -98.624
tors. eta vs tors. theta energy: -179.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1740.694254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.694254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.694254 (E_RNA)
where:
Base-Base interactions energy: -1154.393
where: short stacking energy: -528.868
Base-Backbone interact. energy: -1.602
local terms energy: -584.699745
where:
bonds (distance) C4'-P energy: -114.608
bonds (distance) P-C4' energy: -127.594
flat angles C4'-P-C4' energy: -122.947
flat angles P-C4'-P energy: -82.231
tors. eta vs tors. theta energy: -137.320
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: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1670.261261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.261261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.261261 (E_RNA)
where:
Base-Base interactions energy: -1113.798
where: short stacking energy: -482.767
Base-Backbone interact. energy: -0.156
local terms energy: -556.307096
where:
bonds (distance) C4'-P energy: -116.402
bonds (distance) P-C4' energy: -112.572
flat angles C4'-P-C4' energy: -125.293
flat angles P-C4'-P energy: -79.002
tors. eta vs tors. theta energy: -123.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1576.082650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.082650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.082650 (E_RNA)
where:
Base-Base interactions energy: -1038.926
where: short stacking energy: -474.227
Base-Backbone interact. energy: 0.157
local terms energy: -537.314361
where:
bonds (distance) C4'-P energy: -98.963
bonds (distance) P-C4' energy: -117.615
flat angles C4'-P-C4' energy: -118.106
flat angles P-C4'-P energy: -80.075
tors. eta vs tors. theta energy: -122.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1277.097731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.097731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.097731 (E_RNA)
where:
Base-Base interactions energy: -785.501
where: short stacking energy: -386.790
Base-Backbone interact. energy: -2.440
local terms energy: -489.156328
where:
bonds (distance) C4'-P energy: -122.341
bonds (distance) P-C4' energy: -108.403
flat angles C4'-P-C4' energy: -117.998
flat angles P-C4'-P energy: -59.959
tors. eta vs tors. theta energy: -80.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1033.748166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.748166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.748166 (E_RNA)
where:
Base-Base interactions energy: -612.813
where: short stacking energy: -266.002
Base-Backbone interact. energy: 7.777
local terms energy: -428.711387
where:
bonds (distance) C4'-P energy: -92.611
bonds (distance) P-C4' energy: -112.637
flat angles C4'-P-C4' energy: -115.456
flat angles P-C4'-P energy: -67.225
tors. eta vs tors. theta energy: -40.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -589.125989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.125989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.125989 (E_RNA)
where:
Base-Base interactions energy: -239.016
where: short stacking energy: -175.348
Base-Backbone interact. energy: 3.164
local terms energy: -353.274045
where:
bonds (distance) C4'-P energy: -95.861
bonds (distance) P-C4' energy: -106.073
flat angles C4'-P-C4' energy: -102.565
flat angles P-C4'-P energy: -63.847
tors. eta vs tors. theta energy: 15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2297.303028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.303028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.303028 (E_RNA)
where:
Base-Base interactions energy: -1627.150
where: short stacking energy: -652.991
Base-Backbone interact. energy: 4.344
local terms energy: -674.496452
where:
bonds (distance) C4'-P energy: -126.703
bonds (distance) P-C4' energy: -123.878
flat angles C4'-P-C4' energy: -151.830
flat angles P-C4'-P energy: -98.765
tors. eta vs tors. theta energy: -173.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2188.518895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.518895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.518895 (E_RNA)
where:
Base-Base interactions energy: -1499.978
where: short stacking energy: -653.934
Base-Backbone interact. energy: -3.356
local terms energy: -685.184048
where:
bonds (distance) C4'-P energy: -122.913
bonds (distance) P-C4' energy: -132.075
flat angles C4'-P-C4' energy: -146.105
flat angles P-C4'-P energy: -93.602
tors. eta vs tors. theta energy: -190.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2034.750002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.750002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.750002 (E_RNA)
where:
Base-Base interactions energy: -1374.366
where: short stacking energy: -620.737
Base-Backbone interact. energy: -2.719
local terms energy: -657.664665
where:
bonds (distance) C4'-P energy: -132.685
bonds (distance) P-C4' energy: -116.226
flat angles C4'-P-C4' energy: -143.838
flat angles P-C4'-P energy: -96.756
tors. eta vs tors. theta energy: -168.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2055.373029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.373029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.373029 (E_RNA)
where:
Base-Base interactions energy: -1405.550
where: short stacking energy: -594.732
Base-Backbone interact. energy: -0.343
local terms energy: -649.479819
where:
bonds (distance) C4'-P energy: -110.285
bonds (distance) P-C4' energy: -133.628
flat angles C4'-P-C4' energy: -136.774
flat angles P-C4'-P energy: -93.435
tors. eta vs tors. theta energy: -175.357
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1717.223523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.223523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.223523 (E_RNA)
where:
Base-Base interactions energy: -1143.775
where: short stacking energy: -522.148
Base-Backbone interact. energy: -1.568
local terms energy: -571.880502
where:
bonds (distance) C4'-P energy: -100.872
bonds (distance) P-C4' energy: -136.128
flat angles C4'-P-C4' energy: -127.684
flat angles P-C4'-P energy: -73.851
tors. eta vs tors. theta energy: -133.345
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: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1662.654537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.654537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.654537 (E_RNA)
where:
Base-Base interactions energy: -1099.183
where: short stacking energy: -503.698
Base-Backbone interact. energy: 0.622
local terms energy: -564.092782
where:
bonds (distance) C4'-P energy: -117.747
bonds (distance) P-C4' energy: -126.063
flat angles C4'-P-C4' energy: -117.403
flat angles P-C4'-P energy: -77.157
tors. eta vs tors. theta energy: -125.722
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: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1543.944045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.944045 (E_RNA)
where:
Base-Base interactions energy: -1031.333
where: short stacking energy: -459.827
Base-Backbone interact. energy: 2.029
local terms energy: -514.640404
where:
bonds (distance) C4'-P energy: -101.876
bonds (distance) P-C4' energy: -110.536
flat angles C4'-P-C4' energy: -105.739
flat angles P-C4'-P energy: -79.963
tors. eta vs tors. theta energy: -116.526
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: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1299.801539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.801539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.801539 (E_RNA)
where:
Base-Base interactions energy: -805.366
where: short stacking energy: -400.606
Base-Backbone interact. energy: -1.840
local terms energy: -492.594947
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -112.309
flat angles C4'-P-C4' energy: -116.500
flat angles P-C4'-P energy: -73.382
tors. eta vs tors. theta energy: -86.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1011.419018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.419018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.419018 (E_RNA)
where:
Base-Base interactions energy: -597.277
where: short stacking energy: -266.108
Base-Backbone interact. energy: -2.853
local terms energy: -411.289348
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -115.579
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -65.481
tors. eta vs tors. theta energy: -33.721
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: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -594.566091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.566091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.566091 (E_RNA)
where:
Base-Base interactions energy: -263.128
where: short stacking energy: -184.581
Base-Backbone interact. energy: 1.464
local terms energy: -332.901900
where:
bonds (distance) C4'-P energy: -91.414
bonds (distance) P-C4' energy: -107.285
flat angles C4'-P-C4' energy: -89.028
flat angles P-C4'-P energy: -50.703
tors. eta vs tors. theta energy: 5.528
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: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2272.184620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.184620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.184620 (E_RNA)
where:
Base-Base interactions energy: -1601.767
where: short stacking energy: -645.316
Base-Backbone interact. energy: 0.803
local terms energy: -671.220932
where:
bonds (distance) C4'-P energy: -129.060
bonds (distance) P-C4' energy: -137.814
flat angles C4'-P-C4' energy: -148.071
flat angles P-C4'-P energy: -92.677
tors. eta vs tors. theta energy: -163.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2207.561212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.561212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.561212 (E_RNA)
where:
Base-Base interactions energy: -1514.341
where: short stacking energy: -647.692
Base-Backbone interact. energy: 0.987
local terms energy: -694.207375
where:
bonds (distance) C4'-P energy: -114.696
bonds (distance) P-C4' energy: -134.518
flat angles C4'-P-C4' energy: -151.954
flat angles P-C4'-P energy: -109.133
tors. eta vs tors. theta energy: -183.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2057.745522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.745522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.745522 (E_RNA)
where:
Base-Base interactions energy: -1405.188
where: short stacking energy: -586.751
Base-Backbone interact. energy: -1.727
local terms energy: -650.830276
where:
bonds (distance) C4'-P energy: -123.187
bonds (distance) P-C4' energy: -125.638
flat angles C4'-P-C4' energy: -141.471
flat angles P-C4'-P energy: -91.126
tors. eta vs tors. theta energy: -169.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2100.222514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.222514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.222514 (E_RNA)
where:
Base-Base interactions energy: -1435.956
where: short stacking energy: -605.412
Base-Backbone interact. energy: 2.578
local terms energy: -666.843982
where:
bonds (distance) C4'-P energy: -125.914
bonds (distance) P-C4' energy: -136.500
flat angles C4'-P-C4' energy: -135.777
flat angles P-C4'-P energy: -95.935
tors. eta vs tors. theta energy: -172.718
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: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1767.818445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.818445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.818445 (E_RNA)
where:
Base-Base interactions energy: -1177.525
where: short stacking energy: -506.203
Base-Backbone interact. energy: -1.202
local terms energy: -589.091069
where:
bonds (distance) C4'-P energy: -117.119
bonds (distance) P-C4' energy: -128.315
flat angles C4'-P-C4' energy: -123.135
flat angles P-C4'-P energy: -96.011
tors. eta vs tors. theta energy: -124.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1671.545345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.545345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.545345 (E_RNA)
where:
Base-Base interactions energy: -1143.284
where: short stacking energy: -520.797
Base-Backbone interact. energy: 3.737
local terms energy: -531.998162
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -103.343
flat angles C4'-P-C4' energy: -127.729
flat angles P-C4'-P energy: -66.821
tors. eta vs tors. theta energy: -137.610
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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1505.899309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.899309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.899309 (E_RNA)
where:
Base-Base interactions energy: -1008.698
where: short stacking energy: -475.603
Base-Backbone interact. energy: 2.503
local terms energy: -499.704707
where:
bonds (distance) C4'-P energy: -102.133
bonds (distance) P-C4' energy: -121.422
flat angles C4'-P-C4' energy: -106.226
flat angles P-C4'-P energy: -64.722
tors. eta vs tors. theta energy: -105.201
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: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1242.488233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.488233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.488233 (E_RNA)
where:
Base-Base interactions energy: -750.842
where: short stacking energy: -381.582
Base-Backbone interact. energy: -1.830
local terms energy: -489.816202
where:
bonds (distance) C4'-P energy: -122.078
bonds (distance) P-C4' energy: -94.867
flat angles C4'-P-C4' energy: -112.471
flat angles P-C4'-P energy: -71.928
tors. eta vs tors. theta energy: -88.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -956.903354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.903354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.903354 (E_RNA)
where:
Base-Base interactions energy: -564.134
where: short stacking energy: -293.316
Base-Backbone interact. energy: 1.516
local terms energy: -394.285070
where:
bonds (distance) C4'-P energy: -111.617
bonds (distance) P-C4' energy: -106.880
flat angles C4'-P-C4' energy: -104.294
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -581.847925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.847925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.847925 (E_RNA)
where:
Base-Base interactions energy: -271.523
where: short stacking energy: -192.328
Base-Backbone interact. energy: 4.441
local terms energy: -314.766499
where:
bonds (distance) C4'-P energy: -101.893
bonds (distance) P-C4' energy: -108.782
flat angles C4'-P-C4' energy: -73.794
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: 9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2296.728204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.728204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.728204 (E_RNA)
where:
Base-Base interactions energy: -1622.891
where: short stacking energy: -651.207
Base-Backbone interact. energy: -2.172
local terms energy: -671.665689
where:
bonds (distance) C4'-P energy: -128.494
bonds (distance) P-C4' energy: -139.655
flat angles C4'-P-C4' energy: -148.754
flat angles P-C4'-P energy: -93.063
tors. eta vs tors. theta energy: -161.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2203.078827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.078827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.078827 (E_RNA)
where:
Base-Base interactions energy: -1532.380
where: short stacking energy: -638.844
Base-Backbone interact. energy: -0.366
local terms energy: -670.332728
where:
bonds (distance) C4'-P energy: -127.708
bonds (distance) P-C4' energy: -119.495
flat angles C4'-P-C4' energy: -150.014
flat angles P-C4'-P energy: -90.819
tors. eta vs tors. theta energy: -182.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2120.148816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.148816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.148816 (E_RNA)
where:
Base-Base interactions energy: -1428.041
where: short stacking energy: -614.672
Base-Backbone interact. energy: -3.357
local terms energy: -688.750369
where:
bonds (distance) C4'-P energy: -130.884
bonds (distance) P-C4' energy: -125.857
flat angles C4'-P-C4' energy: -152.091
flat angles P-C4'-P energy: -100.508
tors. eta vs tors. theta energy: -179.410
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: 139
Temperature: 1.050000
Total energy: -2005.997426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.997426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.997426 (E_RNA)
where:
Base-Base interactions energy: -1372.077
where: short stacking energy: -589.359
Base-Backbone interact. energy: -1.022
local terms energy: -632.898082
where:
bonds (distance) C4'-P energy: -119.947
bonds (distance) P-C4' energy: -122.640
flat angles C4'-P-C4' energy: -130.272
flat angles P-C4'-P energy: -84.108
tors. eta vs tors. theta energy: -175.931
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: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1834.919165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.919165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.919165 (E_RNA)
where:
Base-Base interactions energy: -1233.483
where: short stacking energy: -531.824
Base-Backbone interact. energy: -0.600
local terms energy: -600.835412
where:
bonds (distance) C4'-P energy: -117.313
bonds (distance) P-C4' energy: -113.755
flat angles C4'-P-C4' energy: -133.462
flat angles P-C4'-P energy: -94.538
tors. eta vs tors. theta energy: -141.768
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: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1642.287890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.287890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.287890 (E_RNA)
where:
Base-Base interactions energy: -1066.179
where: short stacking energy: -484.274
Base-Backbone interact. energy: -5.389
local terms energy: -570.720042
where:
bonds (distance) C4'-P energy: -124.246
bonds (distance) P-C4' energy: -119.085
flat angles C4'-P-C4' energy: -126.571
flat angles P-C4'-P energy: -76.951
tors. eta vs tors. theta energy: -123.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1450.567997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.567997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.567997 (E_RNA)
where:
Base-Base interactions energy: -954.957
where: short stacking energy: -428.342
Base-Backbone interact. energy: -1.621
local terms energy: -493.989650
where:
bonds (distance) C4'-P energy: -93.506
bonds (distance) P-C4' energy: -114.559
flat angles C4'-P-C4' energy: -129.985
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -98.988
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: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1270.121743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.121743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.121743 (E_RNA)
where:
Base-Base interactions energy: -816.257
where: short stacking energy: -355.607
Base-Backbone interact. energy: 0.760
local terms energy: -454.625328
where:
bonds (distance) C4'-P energy: -103.501
bonds (distance) P-C4' energy: -121.424
flat angles C4'-P-C4' energy: -111.779
flat angles P-C4'-P energy: -58.416
tors. eta vs tors. theta energy: -59.506
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: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -986.059546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.059546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.059546 (E_RNA)
where:
Base-Base interactions energy: -598.130
where: short stacking energy: -313.070
Base-Backbone interact. energy: -0.658
local terms energy: -387.271950
where:
bonds (distance) C4'-P energy: -77.464
bonds (distance) P-C4' energy: -107.213
flat angles C4'-P-C4' energy: -101.179
flat angles P-C4'-P energy: -63.179
tors. eta vs tors. theta energy: -38.237
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: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -615.917858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.917858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.917858 (E_RNA)
where:
Base-Base interactions energy: -277.941
where: short stacking energy: -182.608
Base-Backbone interact. energy: -0.670
local terms energy: -337.306754
where:
bonds (distance) C4'-P energy: -110.468
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -86.583
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: 6.419
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: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2288.695317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.695317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.695317 (E_RNA)
where:
Base-Base interactions energy: -1599.030
where: short stacking energy: -641.730
Base-Backbone interact. energy: -4.848
local terms energy: -684.817810
where:
bonds (distance) C4'-P energy: -130.370
bonds (distance) P-C4' energy: -126.242
flat angles C4'-P-C4' energy: -148.438
flat angles P-C4'-P energy: -112.226
tors. eta vs tors. theta energy: -167.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2190.108695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.108695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.108695 (E_RNA)
where:
Base-Base interactions energy: -1508.286
where: short stacking energy: -659.152
Base-Backbone interact. energy: -2.343
local terms energy: -679.479820
where:
bonds (distance) C4'-P energy: -123.973
bonds (distance) P-C4' energy: -118.163
flat angles C4'-P-C4' energy: -140.724
flat angles P-C4'-P energy: -106.563
tors. eta vs tors. theta energy: -190.056
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: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2070.339142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.339142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.339142 (E_RNA)
where:
Base-Base interactions energy: -1428.145
where: short stacking energy: -627.501
Base-Backbone interact. energy: -1.464
local terms energy: -640.730466
where:
bonds (distance) C4'-P energy: -127.284
bonds (distance) P-C4' energy: -112.406
flat angles C4'-P-C4' energy: -142.046
flat angles P-C4'-P energy: -81.598
tors. eta vs tors. theta energy: -177.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2059.250362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.250362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.250362 (E_RNA)
where:
Base-Base interactions energy: -1424.161
where: short stacking energy: -592.669
Base-Backbone interact. energy: -2.919
local terms energy: -632.169600
where:
bonds (distance) C4'-P energy: -118.570
bonds (distance) P-C4' energy: -119.772
flat angles C4'-P-C4' energy: -143.727
flat angles P-C4'-P energy: -73.818
tors. eta vs tors. theta energy: -176.282
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: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1859.750339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.750339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.750339 (E_RNA)
where:
Base-Base interactions energy: -1239.279
where: short stacking energy: -538.274
Base-Backbone interact. energy: -3.393
local terms energy: -617.078390
where:
bonds (distance) C4'-P energy: -112.713
bonds (distance) P-C4' energy: -127.555
flat angles C4'-P-C4' energy: -147.213
flat angles P-C4'-P energy: -90.944
tors. eta vs tors. theta energy: -138.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1663.725724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.725724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.725724 (E_RNA)
where:
Base-Base interactions energy: -1061.061
where: short stacking energy: -471.321
Base-Backbone interact. energy: -2.733
local terms energy: -599.931182
where:
bonds (distance) C4'-P energy: -133.737
bonds (distance) P-C4' energy: -112.733
flat angles C4'-P-C4' energy: -144.937
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -133.563
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: 140
Temperature: 1.200000
Total energy: -1418.113356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.113356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.113356 (E_RNA)
where:
Base-Base interactions energy: -889.230
where: short stacking energy: -409.477
Base-Backbone interact. energy: -0.360
local terms energy: -528.523410
where:
bonds (distance) C4'-P energy: -110.172
bonds (distance) P-C4' energy: -140.573
flat angles C4'-P-C4' energy: -110.001
flat angles P-C4'-P energy: -64.788
tors. eta vs tors. theta energy: -102.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1379.101336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.101336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.101336 (E_RNA)
where:
Base-Base interactions energy: -878.854
where: short stacking energy: -429.911
Base-Backbone interact. energy: -0.820
local terms energy: -499.426525
where:
bonds (distance) C4'-P energy: -106.066
bonds (distance) P-C4' energy: -117.867
flat angles C4'-P-C4' energy: -105.858
flat angles P-C4'-P energy: -78.406
tors. eta vs tors. theta energy: -91.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -980.192428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.192428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.192428 (E_RNA)
where:
Base-Base interactions energy: -558.153
where: short stacking energy: -248.279
Base-Backbone interact. energy: 1.537
local terms energy: -423.576561
where:
bonds (distance) C4'-P energy: -106.692
bonds (distance) P-C4' energy: -92.369
flat angles C4'-P-C4' energy: -119.690
flat angles P-C4'-P energy: -73.925
tors. eta vs tors. theta energy: -30.900
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: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -681.242875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.242875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.242875 (E_RNA)
where:
Base-Base interactions energy: -331.123
where: short stacking energy: -190.288
Base-Backbone interact. energy: 3.160
local terms energy: -353.279949
where:
bonds (distance) C4'-P energy: -99.770
bonds (distance) P-C4' energy: -115.057
flat angles C4'-P-C4' energy: -88.826
flat angles P-C4'-P energy: -53.936
tors. eta vs tors. theta energy: 4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2263.773924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.773924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.773924 (E_RNA)
where:
Base-Base interactions energy: -1596.991
where: short stacking energy: -649.842
Base-Backbone interact. energy: -6.099
local terms energy: -660.684266
where:
bonds (distance) C4'-P energy: -124.100
bonds (distance) P-C4' energy: -134.914
flat angles C4'-P-C4' energy: -146.528
flat angles P-C4'-P energy: -103.025
tors. eta vs tors. theta energy: -152.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2228.367384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.367384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.367384 (E_RNA)
where:
Base-Base interactions energy: -1536.306
where: short stacking energy: -649.520
Base-Backbone interact. energy: 1.381
local terms energy: -693.442746
where:
bonds (distance) C4'-P energy: -122.647
bonds (distance) P-C4' energy: -133.630
flat angles C4'-P-C4' energy: -137.860
flat angles P-C4'-P energy: -98.506
tors. eta vs tors. theta energy: -200.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2071.340983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.340983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.340983 (E_RNA)
where:
Base-Base interactions energy: -1417.683
where: short stacking energy: -632.375
Base-Backbone interact. energy: 4.126
local terms energy: -657.784137
where:
bonds (distance) C4'-P energy: -111.563
bonds (distance) P-C4' energy: -120.684
flat angles C4'-P-C4' energy: -152.331
flat angles P-C4'-P energy: -82.622
tors. eta vs tors. theta energy: -190.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2047.105058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.105058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.105058 (E_RNA)
where:
Base-Base interactions energy: -1424.233
where: short stacking energy: -585.193
Base-Backbone interact. energy: -2.068
local terms energy: -620.804963
where:
bonds (distance) C4'-P energy: -121.334
bonds (distance) P-C4' energy: -127.375
flat angles C4'-P-C4' energy: -133.759
flat angles P-C4'-P energy: -79.278
tors. eta vs tors. theta energy: -159.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1816.253990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.253990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.253990 (E_RNA)
where:
Base-Base interactions energy: -1242.450
where: short stacking energy: -502.409
Base-Backbone interact. energy: 0.383
local terms energy: -574.186208
where:
bonds (distance) C4'-P energy: -125.340
bonds (distance) P-C4' energy: -113.001
flat angles C4'-P-C4' energy: -124.121
flat angles P-C4'-P energy: -87.456
tors. eta vs tors. theta energy: -124.267
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: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1608.504070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.504070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.504070 (E_RNA)
where:
Base-Base interactions energy: -1049.043
where: short stacking energy: -453.605
Base-Backbone interact. energy: -3.539
local terms energy: -555.921630
where:
bonds (distance) C4'-P energy: -119.601
bonds (distance) P-C4' energy: -120.588
flat angles C4'-P-C4' energy: -117.325
flat angles P-C4'-P energy: -86.752
tors. eta vs tors. theta energy: -111.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1396.888991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.888991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.888991 (E_RNA)
where:
Base-Base interactions energy: -895.494
where: short stacking energy: -409.823
Base-Backbone interact. energy: -1.152
local terms energy: -500.242840
where:
bonds (distance) C4'-P energy: -113.457
bonds (distance) P-C4' energy: -120.485
flat angles C4'-P-C4' energy: -105.845
flat angles P-C4'-P energy: -75.462
tors. eta vs tors. theta energy: -84.994
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: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1353.763990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.763990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.763990 (E_RNA)
where:
Base-Base interactions energy: -875.122
where: short stacking energy: -400.310
Base-Backbone interact. energy: -0.697
local terms energy: -477.945041
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -120.751
flat angles C4'-P-C4' energy: -100.605
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -86.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -996.772946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.772946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.772946 (E_RNA)
where:
Base-Base interactions energy: -571.432
where: short stacking energy: -302.303
Base-Backbone interact. energy: -2.013
local terms energy: -423.328130
where:
bonds (distance) C4'-P energy: -115.309
bonds (distance) P-C4' energy: -108.918
flat angles C4'-P-C4' energy: -100.138
flat angles P-C4'-P energy: -61.090
tors. eta vs tors. theta energy: -37.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -670.170840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.170840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.170840 (E_RNA)
where:
Base-Base interactions energy: -335.420
where: short stacking energy: -183.770
Base-Backbone interact. energy: 1.578
local terms energy: -336.328579
where:
bonds (distance) C4'-P energy: -100.045
bonds (distance) P-C4' energy: -111.626
flat angles C4'-P-C4' energy: -93.368
flat angles P-C4'-P energy: -49.751
tors. eta vs tors. theta energy: 18.461
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: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2289.960659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.960659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.960659 (E_RNA)
where:
Base-Base interactions energy: -1620.218
where: short stacking energy: -656.613
Base-Backbone interact. energy: -5.058
local terms energy: -664.684700
where:
bonds (distance) C4'-P energy: -132.144
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -141.568
flat angles P-C4'-P energy: -94.787
tors. eta vs tors. theta energy: -172.641
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: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2235.675169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.675169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.675169 (E_RNA)
where:
Base-Base interactions energy: -1539.531
where: short stacking energy: -645.374
Base-Backbone interact. energy: 4.001
local terms energy: -700.145468
where:
bonds (distance) C4'-P energy: -121.104
bonds (distance) P-C4' energy: -137.040
flat angles C4'-P-C4' energy: -157.861
flat angles P-C4'-P energy: -100.372
tors. eta vs tors. theta energy: -183.768
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2066.992043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.992043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.992043 (E_RNA)
where:
Base-Base interactions energy: -1426.803
where: short stacking energy: -637.659
Base-Backbone interact. energy: -1.303
local terms energy: -638.886013
where:
bonds (distance) C4'-P energy: -127.601
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -131.867
flat angles P-C4'-P energy: -89.182
tors. eta vs tors. theta energy: -174.735
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: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2043.780898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.780898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.780898 (E_RNA)
where:
Base-Base interactions energy: -1388.941
where: short stacking energy: -595.795
Base-Backbone interact. energy: -4.033
local terms energy: -650.806924
where:
bonds (distance) C4'-P energy: -140.421
bonds (distance) P-C4' energy: -135.060
flat angles C4'-P-C4' energy: -138.317
flat angles P-C4'-P energy: -76.934
tors. eta vs tors. theta energy: -160.075
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: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1907.320576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.320576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.320576 (E_RNA)
where:
Base-Base interactions energy: -1295.341
where: short stacking energy: -549.157
Base-Backbone interact. energy: 2.144
local terms energy: -614.124007
where:
bonds (distance) C4'-P energy: -117.991
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -133.586
flat angles P-C4'-P energy: -92.710
tors. eta vs tors. theta energy: -140.854
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: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1550.299673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.299673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.299673 (E_RNA)
where:
Base-Base interactions energy: -1006.278
where: short stacking energy: -460.329
Base-Backbone interact. energy: 6.205
local terms energy: -550.226270
where:
bonds (distance) C4'-P energy: -119.201
bonds (distance) P-C4' energy: -112.739
flat angles C4'-P-C4' energy: -118.596
flat angles P-C4'-P energy: -85.994
tors. eta vs tors. theta energy: -113.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1377.643931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.643931 (E_RNA)
where:
Base-Base interactions energy: -861.940
where: short stacking energy: -403.844
Base-Backbone interact. energy: -3.154
local terms energy: -512.549444
where:
bonds (distance) C4'-P energy: -116.042
bonds (distance) P-C4' energy: -128.310
flat angles C4'-P-C4' energy: -122.017
flat angles P-C4'-P energy: -59.706
tors. eta vs tors. theta energy: -86.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1352.316582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.316582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.316582 (E_RNA)
where:
Base-Base interactions energy: -852.239
where: short stacking energy: -407.019
Base-Backbone interact. energy: -1.915
local terms energy: -498.162427
where:
bonds (distance) C4'-P energy: -116.817
bonds (distance) P-C4' energy: -109.849
flat angles C4'-P-C4' energy: -112.558
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -91.048
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: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -966.612298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.612298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.612298 (E_RNA)
where:
Base-Base interactions energy: -544.516
where: short stacking energy: -268.363
Base-Backbone interact. energy: 1.906
local terms energy: -424.001804
where:
bonds (distance) C4'-P energy: -100.477
bonds (distance) P-C4' energy: -112.665
flat angles C4'-P-C4' energy: -91.965
flat angles P-C4'-P energy: -75.692
tors. eta vs tors. theta energy: -43.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -640.341161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.341161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.341161 (E_RNA)
where:
Base-Base interactions energy: -295.501
where: short stacking energy: -189.750
Base-Backbone interact. energy: 0.144
local terms energy: -344.984781
where:
bonds (distance) C4'-P energy: -101.417
bonds (distance) P-C4' energy: -116.939
flat angles C4'-P-C4' energy: -87.343
flat angles P-C4'-P energy: -56.743
tors. eta vs tors. theta energy: 17.457
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: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2294.026462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.026462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.026462 (E_RNA)
where:
Base-Base interactions energy: -1616.399
where: short stacking energy: -633.657
Base-Backbone interact. energy: 0.078
local terms energy: -677.705763
where:
bonds (distance) C4'-P energy: -135.778
bonds (distance) P-C4' energy: -134.678
flat angles C4'-P-C4' energy: -156.763
flat angles P-C4'-P energy: -91.691
tors. eta vs tors. theta energy: -158.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2220.408943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.408943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.408943 (E_RNA)
where:
Base-Base interactions energy: -1526.425
where: short stacking energy: -634.569
Base-Backbone interact. energy: -0.943
local terms energy: -693.040677
where:
bonds (distance) C4'-P energy: -124.103
bonds (distance) P-C4' energy: -124.475
flat angles C4'-P-C4' energy: -151.826
flat angles P-C4'-P energy: -104.377
tors. eta vs tors. theta energy: -188.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2055.297690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.297690 (E_RNA)
where:
Base-Base interactions energy: -1400.261
where: short stacking energy: -623.604
Base-Backbone interact. energy: -0.961
local terms energy: -654.074869
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -117.771
flat angles C4'-P-C4' energy: -148.429
flat angles P-C4'-P energy: -96.259
tors. eta vs tors. theta energy: -170.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2007.436572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.436572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.436572 (E_RNA)
where:
Base-Base interactions energy: -1375.912
where: short stacking energy: -570.955
Base-Backbone interact. energy: -1.673
local terms energy: -629.851867
where:
bonds (distance) C4'-P energy: -111.023
bonds (distance) P-C4' energy: -138.380
flat angles C4'-P-C4' energy: -138.910
flat angles P-C4'-P energy: -66.204
tors. eta vs tors. theta energy: -175.335
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: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1976.089852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.089852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.089852 (E_RNA)
where:
Base-Base interactions energy: -1386.133
where: short stacking energy: -549.970
Base-Backbone interact. energy: -1.495
local terms energy: -588.462667
where:
bonds (distance) C4'-P energy: -114.475
bonds (distance) P-C4' energy: -119.372
flat angles C4'-P-C4' energy: -138.418
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -128.658
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: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1530.225862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.225862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.225862 (E_RNA)
where:
Base-Base interactions energy: -1012.550
where: short stacking energy: -435.383
Base-Backbone interact. energy: 5.020
local terms energy: -522.695662
where:
bonds (distance) C4'-P energy: -131.598
bonds (distance) P-C4' energy: -119.776
flat angles C4'-P-C4' energy: -129.398
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -91.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1423.383570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.383570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.383570 (E_RNA)
where:
Base-Base interactions energy: -880.299
where: short stacking energy: -407.085
Base-Backbone interact. energy: -2.030
local terms energy: -541.054594
where:
bonds (distance) C4'-P energy: -96.984
bonds (distance) P-C4' energy: -115.019
flat angles C4'-P-C4' energy: -124.590
flat angles P-C4'-P energy: -85.292
tors. eta vs tors. theta energy: -119.169
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: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1326.382617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.382617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.382617 (E_RNA)
where:
Base-Base interactions energy: -831.882
where: short stacking energy: -397.817
Base-Backbone interact. energy: 0.162
local terms energy: -494.662447
where:
bonds (distance) C4'-P energy: -122.448
bonds (distance) P-C4' energy: -113.122
flat angles C4'-P-C4' energy: -109.527
flat angles P-C4'-P energy: -67.712
tors. eta vs tors. theta energy: -81.853
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: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -992.803276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.803276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.803276 (E_RNA)
where:
Base-Base interactions energy: -551.891
where: short stacking energy: -262.886
Base-Backbone interact. energy: 5.156
local terms energy: -446.068305
where:
bonds (distance) C4'-P energy: -113.491
bonds (distance) P-C4' energy: -117.844
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -65.433
tors. eta vs tors. theta energy: -41.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -732.119411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.119411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.119411 (E_RNA)
where:
Base-Base interactions energy: -386.476
where: short stacking energy: -236.229
Base-Backbone interact. energy: -2.001
local terms energy: -343.641969
where:
bonds (distance) C4'-P energy: -95.856
bonds (distance) P-C4' energy: -115.370
flat angles C4'-P-C4' energy: -71.789
flat angles P-C4'-P energy: -59.755
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2307.702032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.702032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.702032 (E_RNA)
where:
Base-Base interactions energy: -1618.399
where: short stacking energy: -653.920
Base-Backbone interact. energy: -4.908
local terms energy: -684.394808
where:
bonds (distance) C4'-P energy: -131.072
bonds (distance) P-C4' energy: -130.684
flat angles C4'-P-C4' energy: -147.912
flat angles P-C4'-P energy: -105.713
tors. eta vs tors. theta energy: -169.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2220.815453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.815453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.815453 (E_RNA)
where:
Base-Base interactions energy: -1525.701
where: short stacking energy: -664.113
Base-Backbone interact. energy: -0.585
local terms energy: -694.529581
where:
bonds (distance) C4'-P energy: -138.917
bonds (distance) P-C4' energy: -128.760
flat angles C4'-P-C4' energy: -144.333
flat angles P-C4'-P energy: -90.065
tors. eta vs tors. theta energy: -192.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2081.361150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.361150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.361150 (E_RNA)
where:
Base-Base interactions energy: -1406.993
where: short stacking energy: -639.710
Base-Backbone interact. energy: -2.490
local terms energy: -671.877850
where:
bonds (distance) C4'-P energy: -113.146
bonds (distance) P-C4' energy: -139.141
flat angles C4'-P-C4' energy: -138.495
flat angles P-C4'-P energy: -92.950
tors. eta vs tors. theta energy: -188.146
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: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2014.276207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.276207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.276207 (E_RNA)
where:
Base-Base interactions energy: -1371.543
where: short stacking energy: -589.262
Base-Backbone interact. energy: -1.273
local terms energy: -641.460320
where:
bonds (distance) C4'-P energy: -127.461
bonds (distance) P-C4' energy: -121.764
flat angles C4'-P-C4' energy: -154.886
flat angles P-C4'-P energy: -82.092
tors. eta vs tors. theta energy: -155.257
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: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1984.897622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.897622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.897622 (E_RNA)
where:
Base-Base interactions energy: -1386.121
where: short stacking energy: -574.278
Base-Backbone interact. energy: -1.841
local terms energy: -596.935244
where:
bonds (distance) C4'-P energy: -116.529
bonds (distance) P-C4' energy: -102.954
flat angles C4'-P-C4' energy: -128.133
flat angles P-C4'-P energy: -83.470
tors. eta vs tors. theta energy: -165.849
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: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1721.860157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.860157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.860157 (E_RNA)
where:
Base-Base interactions energy: -1137.427
where: short stacking energy: -512.013
Base-Backbone interact. energy: -3.965
local terms energy: -580.468640
where:
bonds (distance) C4'-P energy: -109.712
bonds (distance) P-C4' energy: -121.870
flat angles C4'-P-C4' energy: -129.611
flat angles P-C4'-P energy: -87.000
tors. eta vs tors. theta energy: -132.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1450.508182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.508182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.508182 (E_RNA)
where:
Base-Base interactions energy: -916.822
where: short stacking energy: -433.972
Base-Backbone interact. energy: -1.495
local terms energy: -532.190688
where:
bonds (distance) C4'-P energy: -112.114
bonds (distance) P-C4' energy: -123.016
flat angles C4'-P-C4' energy: -115.134
flat angles P-C4'-P energy: -88.778
tors. eta vs tors. theta energy: -93.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1280.396242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.396242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.396242 (E_RNA)
where:
Base-Base interactions energy: -821.336
where: short stacking energy: -370.642
Base-Backbone interact. energy: -1.060
local terms energy: -458.000696
where:
bonds (distance) C4'-P energy: -83.627
bonds (distance) P-C4' energy: -127.176
flat angles C4'-P-C4' energy: -110.335
flat angles P-C4'-P energy: -67.070
tors. eta vs tors. theta energy: -69.792
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: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -998.093143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.093143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.093143 (E_RNA)
where:
Base-Base interactions energy: -584.315
where: short stacking energy: -290.626
Base-Backbone interact. energy: -1.019
local terms energy: -412.758973
where:
bonds (distance) C4'-P energy: -112.418
bonds (distance) P-C4' energy: -100.618
flat angles C4'-P-C4' energy: -102.046
flat angles P-C4'-P energy: -60.309
tors. eta vs tors. theta energy: -37.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -664.448052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.448052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.448052 (E_RNA)
where:
Base-Base interactions energy: -274.592
where: short stacking energy: -158.076
Base-Backbone interact. energy: -1.296
local terms energy: -388.560403
where:
bonds (distance) C4'-P energy: -113.305
bonds (distance) P-C4' energy: -92.840
flat angles C4'-P-C4' energy: -117.720
flat angles P-C4'-P energy: -72.297
tors. eta vs tors. theta energy: 7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2286.793277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.793277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.793277 (E_RNA)
where:
Base-Base interactions energy: -1610.995
where: short stacking energy: -661.865
Base-Backbone interact. energy: -5.688
local terms energy: -670.109841
where:
bonds (distance) C4'-P energy: -128.302
bonds (distance) P-C4' energy: -126.655
flat angles C4'-P-C4' energy: -151.972
flat angles P-C4'-P energy: -95.909
tors. eta vs tors. theta energy: -167.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2233.555441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.555441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.555441 (E_RNA)
where:
Base-Base interactions energy: -1541.629
where: short stacking energy: -656.054
Base-Backbone interact. energy: -3.419
local terms energy: -688.506813
where:
bonds (distance) C4'-P energy: -121.574
bonds (distance) P-C4' energy: -131.802
flat angles C4'-P-C4' energy: -140.268
flat angles P-C4'-P energy: -101.015
tors. eta vs tors. theta energy: -193.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2040.898782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.898782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.898782 (E_RNA)
where:
Base-Base interactions energy: -1388.633
where: short stacking energy: -616.824
Base-Backbone interact. energy: 3.165
local terms energy: -655.430635
where:
bonds (distance) C4'-P energy: -132.085
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -143.481
flat angles P-C4'-P energy: -86.495
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: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2033.878220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.878220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.878220 (E_RNA)
where:
Base-Base interactions energy: -1393.737
where: short stacking energy: -570.114
Base-Backbone interact. energy: -0.941
local terms energy: -639.200828
where:
bonds (distance) C4'-P energy: -132.037
bonds (distance) P-C4' energy: -125.518
flat angles C4'-P-C4' energy: -146.193
flat angles P-C4'-P energy: -83.227
tors. eta vs tors. theta energy: -152.227
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: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1953.252627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.252627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.252627 (E_RNA)
where:
Base-Base interactions energy: -1360.632
where: short stacking energy: -548.647
Base-Backbone interact. energy: -0.744
local terms energy: -591.876011
where:
bonds (distance) C4'-P energy: -125.659
bonds (distance) P-C4' energy: -110.618
flat angles C4'-P-C4' energy: -140.970
flat angles P-C4'-P energy: -78.460
tors. eta vs tors. theta energy: -136.169
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: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1758.051767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.051767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.051767 (E_RNA)
where:
Base-Base interactions energy: -1172.797
where: short stacking energy: -538.178
Base-Backbone interact. energy: 0.032
local terms energy: -585.286995
where:
bonds (distance) C4'-P energy: -122.437
bonds (distance) P-C4' energy: -117.091
flat angles C4'-P-C4' energy: -128.195
flat angles P-C4'-P energy: -77.886
tors. eta vs tors. theta energy: -139.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1435.477641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.477641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.477641 (E_RNA)
where:
Base-Base interactions energy: -928.687
where: short stacking energy: -426.300
Base-Backbone interact. energy: 1.775
local terms energy: -508.565570
where:
bonds (distance) C4'-P energy: -114.953
bonds (distance) P-C4' energy: -112.566
flat angles C4'-P-C4' energy: -115.745
flat angles P-C4'-P energy: -60.002
tors. eta vs tors. theta energy: -105.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1273.158324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.158324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.158324 (E_RNA)
where:
Base-Base interactions energy: -771.881
where: short stacking energy: -349.190
Base-Backbone interact. energy: -0.817
local terms energy: -500.460859
where:
bonds (distance) C4'-P energy: -108.012
bonds (distance) P-C4' energy: -118.240
flat angles C4'-P-C4' energy: -130.369
flat angles P-C4'-P energy: -62.485
tors. eta vs tors. theta energy: -81.354
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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1013.034338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.034338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.034338 (E_RNA)
where:
Base-Base interactions energy: -589.103
where: short stacking energy: -303.271
Base-Backbone interact. energy: 1.306
local terms energy: -425.237394
where:
bonds (distance) C4'-P energy: -97.707
bonds (distance) P-C4' energy: -126.111
flat angles C4'-P-C4' energy: -98.854
flat angles P-C4'-P energy: -68.994
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: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -686.304647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.304647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.304647 (E_RNA)
where:
Base-Base interactions energy: -318.907
where: short stacking energy: -172.467
Base-Backbone interact. energy: 2.201
local terms energy: -369.598842
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -115.204
flat angles C4'-P-C4' energy: -86.268
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2292.707021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.707021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.707021 (E_RNA)
where:
Base-Base interactions energy: -1628.837
where: short stacking energy: -633.489
Base-Backbone interact. energy: 2.333
local terms energy: -666.202449
where:
bonds (distance) C4'-P energy: -131.136
bonds (distance) P-C4' energy: -136.610
flat angles C4'-P-C4' energy: -144.552
flat angles P-C4'-P energy: -90.875
tors. eta vs tors. theta energy: -163.029
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: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2251.743447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.743447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.743447 (E_RNA)
where:
Base-Base interactions energy: -1521.376
where: short stacking energy: -670.714
Base-Backbone interact. energy: -2.940
local terms energy: -727.427745
where:
bonds (distance) C4'-P energy: -125.123
bonds (distance) P-C4' energy: -152.139
flat angles C4'-P-C4' energy: -156.648
flat angles P-C4'-P energy: -103.473
tors. eta vs tors. theta energy: -190.046
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: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2002.636397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.636397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.636397 (E_RNA)
where:
Base-Base interactions energy: -1343.021
where: short stacking energy: -602.508
Base-Backbone interact. energy: -3.125
local terms energy: -656.490681
where:
bonds (distance) C4'-P energy: -125.571
bonds (distance) P-C4' energy: -128.921
flat angles C4'-P-C4' energy: -138.659
flat angles P-C4'-P energy: -92.669
tors. eta vs tors. theta energy: -170.670
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: 146
Temperature: 1.050000
Total energy: -2074.661789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.661789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.661789 (E_RNA)
where:
Base-Base interactions energy: -1445.747
where: short stacking energy: -604.855
Base-Backbone interact. energy: -0.686
local terms energy: -628.229314
where:
bonds (distance) C4'-P energy: -121.592
bonds (distance) P-C4' energy: -107.571
flat angles C4'-P-C4' energy: -128.734
flat angles P-C4'-P energy: -90.375
tors. eta vs tors. theta energy: -179.958
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: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1956.878110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.878110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.878110 (E_RNA)
where:
Base-Base interactions energy: -1360.222
where: short stacking energy: -566.876
Base-Backbone interact. energy: -3.504
local terms energy: -593.152005
where:
bonds (distance) C4'-P energy: -103.862
bonds (distance) P-C4' energy: -124.670
flat angles C4'-P-C4' energy: -131.528
flat angles P-C4'-P energy: -86.378
tors. eta vs tors. theta energy: -146.714
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: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1698.021459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.021459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.021459 (E_RNA)
where:
Base-Base interactions energy: -1130.355
where: short stacking energy: -506.947
Base-Backbone interact. energy: 0.793
local terms energy: -568.460044
where:
bonds (distance) C4'-P energy: -100.288
bonds (distance) P-C4' energy: -141.158
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -80.364
tors. eta vs tors. theta energy: -124.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1455.935681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.935681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.935681 (E_RNA)
where:
Base-Base interactions energy: -934.764
where: short stacking energy: -447.308
Base-Backbone interact. energy: 0.473
local terms energy: -521.645271
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -116.552
flat angles C4'-P-C4' energy: -114.882
flat angles P-C4'-P energy: -78.809
tors. eta vs tors. theta energy: -115.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1230.576884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.576884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.576884 (E_RNA)
where:
Base-Base interactions energy: -777.700
where: short stacking energy: -349.121
Base-Backbone interact. energy: -0.879
local terms energy: -451.998097
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -86.979
flat angles C4'-P-C4' energy: -122.057
flat angles P-C4'-P energy: -66.007
tors. eta vs tors. theta energy: -58.617
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: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1039.370350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.370350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.370350 (E_RNA)
where:
Base-Base interactions energy: -592.202
where: short stacking energy: -304.811
Base-Backbone interact. energy: -1.415
local terms energy: -445.753923
where:
bonds (distance) C4'-P energy: -115.373
bonds (distance) P-C4' energy: -108.913
flat angles C4'-P-C4' energy: -107.357
flat angles P-C4'-P energy: -62.898
tors. eta vs tors. theta energy: -51.212
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: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -736.990193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.990193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.990193 (E_RNA)
where:
Base-Base interactions energy: -358.358
where: short stacking energy: -236.756
Base-Backbone interact. energy: -2.110
local terms energy: -376.522626
where:
bonds (distance) C4'-P energy: -87.381
bonds (distance) P-C4' energy: -113.926
flat angles C4'-P-C4' energy: -102.210
flat angles P-C4'-P energy: -56.788
tors. eta vs tors. theta energy: -16.219
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: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2253.761805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.761805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.761805 (E_RNA)
where:
Base-Base interactions energy: -1577.304
where: short stacking energy: -658.451
Base-Backbone interact. energy: -7.272
local terms energy: -669.186297
where:
bonds (distance) C4'-P energy: -126.247
bonds (distance) P-C4' energy: -120.893
flat angles C4'-P-C4' energy: -150.111
flat angles P-C4'-P energy: -106.358
tors. eta vs tors. theta energy: -165.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2228.055869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.055869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.055869 (E_RNA)
where:
Base-Base interactions energy: -1550.137
where: short stacking energy: -655.307
Base-Backbone interact. energy: -0.875
local terms energy: -677.044118
where:
bonds (distance) C4'-P energy: -120.725
bonds (distance) P-C4' energy: -122.270
flat angles C4'-P-C4' energy: -143.879
flat angles P-C4'-P energy: -104.081
tors. eta vs tors. theta energy: -186.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2004.866280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.866280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.866280 (E_RNA)
where:
Base-Base interactions energy: -1347.405
where: short stacking energy: -610.398
Base-Backbone interact. energy: -3.485
local terms energy: -653.975790
where:
bonds (distance) C4'-P energy: -116.247
bonds (distance) P-C4' energy: -127.457
flat angles C4'-P-C4' energy: -130.543
flat angles P-C4'-P energy: -108.063
tors. eta vs tors. theta energy: -171.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2060.553498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.553498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.553498 (E_RNA)
where:
Base-Base interactions energy: -1442.994
where: short stacking energy: -573.596
Base-Backbone interact. energy: -4.418
local terms energy: -613.140931
where:
bonds (distance) C4'-P energy: -120.297
bonds (distance) P-C4' energy: -126.223
flat angles C4'-P-C4' energy: -129.822
flat angles P-C4'-P energy: -86.722
tors. eta vs tors. theta energy: -150.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1997.143864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.143864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.143864 (E_RNA)
where:
Base-Base interactions energy: -1372.470
where: short stacking energy: -553.326
Base-Backbone interact. energy: -4.406
local terms energy: -620.267880
where:
bonds (distance) C4'-P energy: -126.341
bonds (distance) P-C4' energy: -131.376
flat angles C4'-P-C4' energy: -136.887
flat angles P-C4'-P energy: -85.905
tors. eta vs tors. theta energy: -139.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1688.024346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.024346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.024346 (E_RNA)
where:
Base-Base interactions energy: -1138.842
where: short stacking energy: -510.903
Base-Backbone interact. energy: -0.011
local terms energy: -549.171217
where:
bonds (distance) C4'-P energy: -119.072
bonds (distance) P-C4' energy: -107.120
flat angles C4'-P-C4' energy: -131.632
flat angles P-C4'-P energy: -66.462
tors. eta vs tors. theta energy: -124.884
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: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1522.641646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.641646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.641646 (E_RNA)
where:
Base-Base interactions energy: -987.524
where: short stacking energy: -470.216
Base-Backbone interact. energy: -1.433
local terms energy: -533.685405
where:
bonds (distance) C4'-P energy: -105.666
bonds (distance) P-C4' energy: -116.442
flat angles C4'-P-C4' energy: -131.033
flat angles P-C4'-P energy: -63.142
tors. eta vs tors. theta energy: -117.402
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: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1246.636152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.636152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.636152 (E_RNA)
where:
Base-Base interactions energy: -789.497
where: short stacking energy: -357.488
Base-Backbone interact. energy: -0.528
local terms energy: -456.611437
where:
bonds (distance) C4'-P energy: -107.275
bonds (distance) P-C4' energy: -105.850
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -82.057
tors. eta vs tors. theta energy: -65.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -961.537312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.537312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.537312 (E_RNA)
where:
Base-Base interactions energy: -553.626
where: short stacking energy: -267.581
Base-Backbone interact. energy: -1.539
local terms energy: -406.372100
where:
bonds (distance) C4'-P energy: -95.680
bonds (distance) P-C4' energy: -125.383
flat angles C4'-P-C4' energy: -92.779
flat angles P-C4'-P energy: -49.420
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -765.201264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.201264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.201264 (E_RNA)
where:
Base-Base interactions energy: -390.069
where: short stacking energy: -234.583
Base-Backbone interact. energy: -0.896
local terms energy: -374.236381
where:
bonds (distance) C4'-P energy: -107.730
bonds (distance) P-C4' energy: -83.370
flat angles C4'-P-C4' energy: -91.078
flat angles P-C4'-P energy: -69.964
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2270.805022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.805022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.805022 (E_RNA)
where:
Base-Base interactions energy: -1584.977
where: short stacking energy: -637.307
Base-Backbone interact. energy: -1.150
local terms energy: -684.678050
where:
bonds (distance) C4'-P energy: -129.391
bonds (distance) P-C4' energy: -134.941
flat angles C4'-P-C4' energy: -147.310
flat angles P-C4'-P energy: -109.324
tors. eta vs tors. theta energy: -163.713
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: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2230.015138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.015138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.015138 (E_RNA)
where:
Base-Base interactions energy: -1553.684
where: short stacking energy: -635.017
Base-Backbone interact. energy: 0.090
local terms energy: -676.421578
where:
bonds (distance) C4'-P energy: -135.627
bonds (distance) P-C4' energy: -125.393
flat angles C4'-P-C4' energy: -149.281
flat angles P-C4'-P energy: -87.705
tors. eta vs tors. theta energy: -178.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2158.319687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.319687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.319687 (E_RNA)
where:
Base-Base interactions energy: -1467.025
where: short stacking energy: -633.341
Base-Backbone interact. energy: -5.155
local terms energy: -686.139602
where:
bonds (distance) C4'-P energy: -122.540
bonds (distance) P-C4' energy: -132.495
flat angles C4'-P-C4' energy: -146.175
flat angles P-C4'-P energy: -96.569
tors. eta vs tors. theta energy: -188.361
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: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1995.926356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.926356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.926356 (E_RNA)
where:
Base-Base interactions energy: -1354.876
where: short stacking energy: -618.844
Base-Backbone interact. energy: -3.942
local terms energy: -637.108911
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -119.839
flat angles C4'-P-C4' energy: -147.929
flat angles P-C4'-P energy: -92.086
tors. eta vs tors. theta energy: -170.022
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: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1954.062827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.062827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.062827 (E_RNA)
where:
Base-Base interactions energy: -1349.827
where: short stacking energy: -548.091
Base-Backbone interact. energy: -2.928
local terms energy: -601.307819
where:
bonds (distance) C4'-P energy: -107.621
bonds (distance) P-C4' energy: -125.090
flat angles C4'-P-C4' energy: -132.381
flat angles P-C4'-P energy: -89.449
tors. eta vs tors. theta energy: -146.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1623.936443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.936443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.936443 (E_RNA)
where:
Base-Base interactions energy: -1084.676
where: short stacking energy: -478.163
Base-Backbone interact. energy: 0.864
local terms energy: -540.124733
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -124.965
flat angles C4'-P-C4' energy: -118.417
flat angles P-C4'-P energy: -72.585
tors. eta vs tors. theta energy: -123.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1466.648880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.648880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.648880 (E_RNA)
where:
Base-Base interactions energy: -981.616
where: short stacking energy: -430.731
Base-Backbone interact. energy: 2.468
local terms energy: -487.500688
where:
bonds (distance) C4'-P energy: -101.452
bonds (distance) P-C4' energy: -103.270
flat angles C4'-P-C4' energy: -102.398
flat angles P-C4'-P energy: -85.144
tors. eta vs tors. theta energy: -95.236
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: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1198.145644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.145644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.145644 (E_RNA)
where:
Base-Base interactions energy: -705.419
where: short stacking energy: -331.350
Base-Backbone interact. energy: 0.375
local terms energy: -493.101494
where:
bonds (distance) C4'-P energy: -121.367
bonds (distance) P-C4' energy: -118.743
flat angles C4'-P-C4' energy: -123.332
flat angles P-C4'-P energy: -62.087
tors. eta vs tors. theta energy: -67.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -949.858448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.858448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.858448 (E_RNA)
where:
Base-Base interactions energy: -531.588
where: short stacking energy: -269.558
Base-Backbone interact. energy: 1.537
local terms energy: -419.807830
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -112.739
flat angles C4'-P-C4' energy: -110.628
flat angles P-C4'-P energy: -69.130
tors. eta vs tors. theta energy: -28.312
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: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -769.109516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.109516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.109516 (E_RNA)
where:
Base-Base interactions energy: -387.958
where: short stacking energy: -219.863
Base-Backbone interact. energy: 0.977
local terms energy: -382.128832
where:
bonds (distance) C4'-P energy: -116.516
bonds (distance) P-C4' energy: -104.832
flat angles C4'-P-C4' energy: -95.119
flat angles P-C4'-P energy: -51.639
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2252.331870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.331870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.331870 (E_RNA)
where:
Base-Base interactions energy: -1569.711
where: short stacking energy: -656.045
Base-Backbone interact. energy: -0.689
local terms energy: -681.931115
where:
bonds (distance) C4'-P energy: -125.180
bonds (distance) P-C4' energy: -132.749
flat angles C4'-P-C4' energy: -145.089
flat angles P-C4'-P energy: -103.202
tors. eta vs tors. theta energy: -175.711
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: 149
Temperature: 0.950000
Total energy: -2201.484941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.484941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.484941 (E_RNA)
where:
Base-Base interactions energy: -1508.949
where: short stacking energy: -650.677
Base-Backbone interact. energy: -5.420
local terms energy: -687.115402
where:
bonds (distance) C4'-P energy: -117.605
bonds (distance) P-C4' energy: -144.054
flat angles C4'-P-C4' energy: -147.692
flat angles P-C4'-P energy: -100.609
tors. eta vs tors. theta energy: -177.155
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: 149
Temperature: 1.000000
Total energy: -2176.073403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.073403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.073403 (E_RNA)
where:
Base-Base interactions energy: -1517.562
where: short stacking energy: -658.535
Base-Backbone interact. energy: -0.342
local terms energy: -658.169309
where:
bonds (distance) C4'-P energy: -103.323
bonds (distance) P-C4' energy: -119.435
flat angles C4'-P-C4' energy: -156.889
flat angles P-C4'-P energy: -95.809
tors. eta vs tors. theta energy: -182.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1997.919334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.919334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.919334 (E_RNA)
where:
Base-Base interactions energy: -1353.314
where: short stacking energy: -614.758
Base-Backbone interact. energy: -2.954
local terms energy: -641.651364
where:
bonds (distance) C4'-P energy: -122.641
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -149.294
flat angles P-C4'-P energy: -77.192
tors. eta vs tors. theta energy: -176.723
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: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1996.871002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.871002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.871002 (E_RNA)
where:
Base-Base interactions energy: -1388.602
where: short stacking energy: -540.602
Base-Backbone interact. energy: -4.492
local terms energy: -603.777450
where:
bonds (distance) C4'-P energy: -104.817
bonds (distance) P-C4' energy: -123.115
flat angles C4'-P-C4' energy: -140.090
flat angles P-C4'-P energy: -90.881
tors. eta vs tors. theta energy: -144.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1643.658462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.658462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.658462 (E_RNA)
where:
Base-Base interactions energy: -1082.953
where: short stacking energy: -467.840
Base-Backbone interact. energy: 2.482
local terms energy: -563.188291
where:
bonds (distance) C4'-P energy: -121.748
bonds (distance) P-C4' energy: -128.700
flat angles C4'-P-C4' energy: -124.054
flat angles P-C4'-P energy: -70.475
tors. eta vs tors. theta energy: -118.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1464.518616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.518616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.518616 (E_RNA)
where:
Base-Base interactions energy: -935.498
where: short stacking energy: -414.747
Base-Backbone interact. energy: -3.416
local terms energy: -525.604721
where:
bonds (distance) C4'-P energy: -114.209
bonds (distance) P-C4' energy: -123.228
flat angles C4'-P-C4' energy: -115.453
flat angles P-C4'-P energy: -84.767
tors. eta vs tors. theta energy: -87.948
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: 149
Temperature: 1.250000
Total energy: -1257.019195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.019195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.019195 (E_RNA)
where:
Base-Base interactions energy: -777.999
where: short stacking energy: -395.203
Base-Backbone interact. energy: -0.331
local terms energy: -478.688904
where:
bonds (distance) C4'-P energy: -107.337
bonds (distance) P-C4' energy: -120.069
flat angles C4'-P-C4' energy: -105.753
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -72.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -901.994309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.994309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.994309 (E_RNA)
where:
Base-Base interactions energy: -517.814
where: short stacking energy: -283.098
Base-Backbone interact. energy: -2.191
local terms energy: -381.989273
where:
bonds (distance) C4'-P energy: -96.471
bonds (distance) P-C4' energy: -99.651
flat angles C4'-P-C4' energy: -106.146
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -715.712168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.712168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.712168 (E_RNA)
where:
Base-Base interactions energy: -374.025
where: short stacking energy: -212.630
Base-Backbone interact. energy: 3.874
local terms energy: -345.561098
where:
bonds (distance) C4'-P energy: -111.281
bonds (distance) P-C4' energy: -107.025
flat angles C4'-P-C4' energy: -92.533
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2273.687174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.687174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.687174 (E_RNA)
where:
Base-Base interactions energy: -1560.604
where: short stacking energy: -646.045
Base-Backbone interact. energy: -6.616
local terms energy: -706.467771
where:
bonds (distance) C4'-P energy: -131.604
bonds (distance) P-C4' energy: -145.900
flat angles C4'-P-C4' energy: -145.373
flat angles P-C4'-P energy: -107.808
tors. eta vs tors. theta energy: -175.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2172.559520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.559520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.559520 (E_RNA)
where:
Base-Base interactions energy: -1493.251
where: short stacking energy: -630.424
Base-Backbone interact. energy: -1.117
local terms energy: -678.191248
where:
bonds (distance) C4'-P energy: -125.033
bonds (distance) P-C4' energy: -126.675
flat angles C4'-P-C4' energy: -149.973
flat angles P-C4'-P energy: -96.381
tors. eta vs tors. theta energy: -180.129
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: 150
Temperature: 1.000000
Total energy: -2149.477678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.477678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.477678 (E_RNA)
where:
Base-Base interactions energy: -1467.781
where: short stacking energy: -595.954
Base-Backbone interact. energy: -3.559
local terms energy: -678.137614
where:
bonds (distance) C4'-P energy: -126.008
bonds (distance) P-C4' energy: -129.300
flat angles C4'-P-C4' energy: -142.815
flat angles P-C4'-P energy: -98.915
tors. eta vs tors. theta energy: -181.100
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: 150
Temperature: 1.050000
Total energy: -1951.052704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.052704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.052704 (E_RNA)
where:
Base-Base interactions energy: -1321.347
where: short stacking energy: -558.394
Base-Backbone interact. energy: -1.596
local terms energy: -628.109149
where:
bonds (distance) C4'-P energy: -136.425
bonds (distance) P-C4' energy: -127.218
flat angles C4'-P-C4' energy: -129.881
flat angles P-C4'-P energy: -85.522
tors. eta vs tors. theta energy: -149.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2018.411516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.411516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.411516 (E_RNA)
where:
Base-Base interactions energy: -1441.480
where: short stacking energy: -563.412
Base-Backbone interact. energy: -3.118
local terms energy: -573.813260
where:
bonds (distance) C4'-P energy: -100.152
bonds (distance) P-C4' energy: -112.739
flat angles C4'-P-C4' energy: -122.847
flat angles P-C4'-P energy: -78.643
tors. eta vs tors. theta energy: -159.433
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: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1669.458983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.458983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.458983 (E_RNA)
where:
Base-Base interactions energy: -1108.086
where: short stacking energy: -498.999
Base-Backbone interact. energy: 4.760
local terms energy: -566.132873
where:
bonds (distance) C4'-P energy: -101.993
bonds (distance) P-C4' energy: -132.331
flat angles C4'-P-C4' energy: -127.132
flat angles P-C4'-P energy: -80.232
tors. eta vs tors. theta energy: -124.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1448.446128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.446128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.446128 (E_RNA)
where:
Base-Base interactions energy: -924.603
where: short stacking energy: -412.393
Base-Backbone interact. energy: -2.648
local terms energy: -521.194924
where:
bonds (distance) C4'-P energy: -126.147
bonds (distance) P-C4' energy: -110.923
flat angles C4'-P-C4' energy: -116.897
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -95.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1275.139967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.139967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.139967 (E_RNA)
where:
Base-Base interactions energy: -799.359
where: short stacking energy: -370.029
Base-Backbone interact. energy: 0.979
local terms energy: -476.760073
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -104.615
flat angles C4'-P-C4' energy: -103.848
flat angles P-C4'-P energy: -86.255
tors. eta vs tors. theta energy: -67.673
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: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -832.479435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.479435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.479435 (E_RNA)
where:
Base-Base interactions energy: -443.173
where: short stacking energy: -240.208
Base-Backbone interact. energy: -1.840
local terms energy: -387.467217
where:
bonds (distance) C4'-P energy: -114.745
bonds (distance) P-C4' energy: -110.292
flat angles C4'-P-C4' energy: -100.535
flat angles P-C4'-P energy: -48.866
tors. eta vs tors. theta energy: -13.029
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: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -702.561201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.561201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.561201 (E_RNA)
where:
Base-Base interactions energy: -348.143
where: short stacking energy: -195.704
Base-Backbone interact. energy: 4.344
local terms energy: -358.763098
where:
bonds (distance) C4'-P energy: -96.202
bonds (distance) P-C4' energy: -104.721
flat angles C4'-P-C4' energy: -102.193
flat angles P-C4'-P energy: -46.299
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2262.300298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.300298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.300298 (E_RNA)
where:
Base-Base interactions energy: -1585.543
where: short stacking energy: -654.449
Base-Backbone interact. energy: -0.763
local terms energy: -675.994015
where:
bonds (distance) C4'-P energy: -118.206
bonds (distance) P-C4' energy: -137.213
flat angles C4'-P-C4' energy: -145.705
flat angles P-C4'-P energy: -91.627
tors. eta vs tors. theta energy: -183.243
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: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2183.055152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.055152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.055152 (E_RNA)
where:
Base-Base interactions energy: -1525.447
where: short stacking energy: -637.338
Base-Backbone interact. energy: -4.383
local terms energy: -653.225550
where:
bonds (distance) C4'-P energy: -109.410
bonds (distance) P-C4' energy: -129.855
flat angles C4'-P-C4' energy: -140.489
flat angles P-C4'-P energy: -95.911
tors. eta vs tors. theta energy: -177.560
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: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2151.747238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.747238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.747238 (E_RNA)
where:
Base-Base interactions energy: -1491.901
where: short stacking energy: -625.812
Base-Backbone interact. energy: 2.603
local terms energy: -662.449610
where:
bonds (distance) C4'-P energy: -130.063
bonds (distance) P-C4' energy: -137.187
flat angles C4'-P-C4' energy: -130.269
flat angles P-C4'-P energy: -75.251
tors. eta vs tors. theta energy: -189.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2067.119312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.119312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.119312 (E_RNA)
where:
Base-Base interactions energy: -1434.475
where: short stacking energy: -597.725
Base-Backbone interact. energy: -4.741
local terms energy: -627.902966
where:
bonds (distance) C4'-P energy: -113.274
bonds (distance) P-C4' energy: -127.168
flat angles C4'-P-C4' energy: -127.470
flat angles P-C4'-P energy: -98.272
tors. eta vs tors. theta energy: -161.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1883.739248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.739248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.739248 (E_RNA)
where:
Base-Base interactions energy: -1267.374
where: short stacking energy: -543.271
Base-Backbone interact. energy: 1.664
local terms energy: -618.029138
where:
bonds (distance) C4'-P energy: -122.506
bonds (distance) P-C4' energy: -127.865
flat angles C4'-P-C4' energy: -115.318
flat angles P-C4'-P energy: -91.884
tors. eta vs tors. theta energy: -160.457
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: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1611.935417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.935417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.935417 (E_RNA)
where:
Base-Base interactions energy: -1075.353
where: short stacking energy: -441.611
Base-Backbone interact. energy: -0.965
local terms energy: -535.616944
where:
bonds (distance) C4'-P energy: -119.683
bonds (distance) P-C4' energy: -111.938
flat angles C4'-P-C4' energy: -128.643
flat angles P-C4'-P energy: -79.027
tors. eta vs tors. theta energy: -96.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1502.119234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.119234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.119234 (E_RNA)
where:
Base-Base interactions energy: -1004.538
where: short stacking energy: -428.053
Base-Backbone interact. energy: -2.254
local terms energy: -495.326480
where:
bonds (distance) C4'-P energy: -112.905
bonds (distance) P-C4' energy: -121.171
flat angles C4'-P-C4' energy: -108.696
flat angles P-C4'-P energy: -65.087
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1287.938522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.938522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.938522 (E_RNA)
where:
Base-Base interactions energy: -808.556
where: short stacking energy: -356.144
Base-Backbone interact. energy: -1.994
local terms energy: -477.388648
where:
bonds (distance) C4'-P energy: -107.671
bonds (distance) P-C4' energy: -110.101
flat angles C4'-P-C4' energy: -109.204
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -75.501
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: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -861.384161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.384161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.384161 (E_RNA)
where:
Base-Base interactions energy: -484.803
where: short stacking energy: -279.582
Base-Backbone interact. energy: -1.555
local terms energy: -375.026926
where:
bonds (distance) C4'-P energy: -106.230
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -87.103
flat angles P-C4'-P energy: -56.709
tors. eta vs tors. theta energy: -29.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -753.071183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.071183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.071183 (E_RNA)
where:
Base-Base interactions energy: -362.201
where: short stacking energy: -198.454
Base-Backbone interact. energy: 6.155
local terms energy: -397.025458
where:
bonds (distance) C4'-P energy: -109.471
bonds (distance) P-C4' energy: -108.327
flat angles C4'-P-C4' energy: -115.146
flat angles P-C4'-P energy: -62.528
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2275.651530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.651530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.651530 (E_RNA)
where:
Base-Base interactions energy: -1596.772
where: short stacking energy: -679.415
Base-Backbone interact. energy: 0.911
local terms energy: -679.790383
where:
bonds (distance) C4'-P energy: -132.706
bonds (distance) P-C4' energy: -123.434
flat angles C4'-P-C4' energy: -140.424
flat angles P-C4'-P energy: -107.458
tors. eta vs tors. theta energy: -175.768
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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2223.133092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.133092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.133092 (E_RNA)
where:
Base-Base interactions energy: -1545.952
where: short stacking energy: -626.634
Base-Backbone interact. energy: -5.287
local terms energy: -671.893964
where:
bonds (distance) C4'-P energy: -129.900
bonds (distance) P-C4' energy: -123.686
flat angles C4'-P-C4' energy: -157.423
flat angles P-C4'-P energy: -82.895
tors. eta vs tors. theta energy: -177.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2173.234236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.234236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.234236 (E_RNA)
where:
Base-Base interactions energy: -1496.184
where: short stacking energy: -644.196
Base-Backbone interact. energy: -3.343
local terms energy: -673.707006
where:
bonds (distance) C4'-P energy: -118.852
bonds (distance) P-C4' energy: -128.212
flat angles C4'-P-C4' energy: -144.328
flat angles P-C4'-P energy: -92.607
tors. eta vs tors. theta energy: -189.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2062.132323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.132323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.132323 (E_RNA)
where:
Base-Base interactions energy: -1427.679
where: short stacking energy: -571.931
Base-Backbone interact. energy: -4.323
local terms energy: -630.130424
where:
bonds (distance) C4'-P energy: -113.443
bonds (distance) P-C4' energy: -124.918
flat angles C4'-P-C4' energy: -143.865
flat angles P-C4'-P energy: -96.590
tors. eta vs tors. theta energy: -151.314
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: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1886.368242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.368242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.368242 (E_RNA)
where:
Base-Base interactions energy: -1300.155
where: short stacking energy: -570.084
Base-Backbone interact. energy: -2.547
local terms energy: -583.666185
where:
bonds (distance) C4'-P energy: -113.761
bonds (distance) P-C4' energy: -108.254
flat angles C4'-P-C4' energy: -131.805
flat angles P-C4'-P energy: -72.472
tors. eta vs tors. theta energy: -157.374
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: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1641.396234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.396234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.396234 (E_RNA)
where:
Base-Base interactions energy: -1103.029
where: short stacking energy: -482.207
Base-Backbone interact. energy: 3.262
local terms energy: -541.629224
where:
bonds (distance) C4'-P energy: -119.405
bonds (distance) P-C4' energy: -115.439
flat angles C4'-P-C4' energy: -119.964
flat angles P-C4'-P energy: -71.549
tors. eta vs tors. theta energy: -115.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1519.371902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.371902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.371902 (E_RNA)
where:
Base-Base interactions energy: -974.689
where: short stacking energy: -458.631
Base-Backbone interact. energy: 0.931
local terms energy: -545.613540
where:
bonds (distance) C4'-P energy: -107.440
bonds (distance) P-C4' energy: -121.846
flat angles C4'-P-C4' energy: -135.713
flat angles P-C4'-P energy: -72.067
tors. eta vs tors. theta energy: -108.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1190.182710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.182710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.182710 (E_RNA)
where:
Base-Base interactions energy: -725.231
where: short stacking energy: -345.889
Base-Backbone interact. energy: -0.784
local terms energy: -464.167957
where:
bonds (distance) C4'-P energy: -102.623
bonds (distance) P-C4' energy: -109.361
flat angles C4'-P-C4' energy: -111.112
flat angles P-C4'-P energy: -69.580
tors. eta vs tors. theta energy: -71.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -861.402036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.402036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.402036 (E_RNA)
where:
Base-Base interactions energy: -464.768
where: short stacking energy: -242.846
Base-Backbone interact. energy: -1.247
local terms energy: -395.386965
where:
bonds (distance) C4'-P energy: -104.008
bonds (distance) P-C4' energy: -111.192
flat angles C4'-P-C4' energy: -105.594
flat angles P-C4'-P energy: -65.336
tors. eta vs tors. theta energy: -9.257
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: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -779.534377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.534377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.534377 (E_RNA)
where:
Base-Base interactions energy: -415.844
where: short stacking energy: -226.017
Base-Backbone interact. energy: 3.146
local terms energy: -366.837104
where:
bonds (distance) C4'-P energy: -98.582
bonds (distance) P-C4' energy: -104.869
flat angles C4'-P-C4' energy: -95.258
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -20.238
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: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2283.850626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.850626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.850626 (E_RNA)
where:
Base-Base interactions energy: -1592.123
where: short stacking energy: -667.305
Base-Backbone interact. energy: -4.313
local terms energy: -687.414723
where:
bonds (distance) C4'-P energy: -133.019
bonds (distance) P-C4' energy: -135.302
flat angles C4'-P-C4' energy: -146.439
flat angles P-C4'-P energy: -97.343
tors. eta vs tors. theta energy: -175.312
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2206.483029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.483029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.483029 (E_RNA)
where:
Base-Base interactions energy: -1544.867
where: short stacking energy: -628.157
Base-Backbone interact. energy: 1.557
local terms energy: -663.173447
where:
bonds (distance) C4'-P energy: -122.739
bonds (distance) P-C4' energy: -134.602
flat angles C4'-P-C4' energy: -147.945
flat angles P-C4'-P energy: -88.194
tors. eta vs tors. theta energy: -169.693
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2150.616522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.616522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.616522 (E_RNA)
where:
Base-Base interactions energy: -1498.126
where: short stacking energy: -611.265
Base-Backbone interact. energy: 5.255
local terms energy: -657.744834
where:
bonds (distance) C4'-P energy: -123.827
bonds (distance) P-C4' energy: -130.362
flat angles C4'-P-C4' energy: -136.480
flat angles P-C4'-P energy: -91.163
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: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2063.190808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.190808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.190808 (E_RNA)
where:
Base-Base interactions energy: -1420.655
where: short stacking energy: -601.332
Base-Backbone interact. energy: -2.341
local terms energy: -640.194671
where:
bonds (distance) C4'-P energy: -125.106
bonds (distance) P-C4' energy: -117.473
flat angles C4'-P-C4' energy: -134.583
flat angles P-C4'-P energy: -104.231
tors. eta vs tors. theta energy: -158.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1919.416353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.416353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.416353 (E_RNA)
where:
Base-Base interactions energy: -1290.808
where: short stacking energy: -597.024
Base-Backbone interact. energy: -2.136
local terms energy: -626.472440
where:
bonds (distance) C4'-P energy: -122.869
bonds (distance) P-C4' energy: -113.004
flat angles C4'-P-C4' energy: -134.302
flat angles P-C4'-P energy: -89.791
tors. eta vs tors. theta energy: -166.506
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: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1596.550052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.550052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.550052 (E_RNA)
where:
Base-Base interactions energy: -1079.658
where: short stacking energy: -482.962
Base-Backbone interact. energy: 3.178
local terms energy: -520.069911
where:
bonds (distance) C4'-P energy: -112.214
bonds (distance) P-C4' energy: -113.854
flat angles C4'-P-C4' energy: -114.437
flat angles P-C4'-P energy: -63.997
tors. eta vs tors. theta energy: -115.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1544.724852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.724852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.724852 (E_RNA)
where:
Base-Base interactions energy: -990.088
where: short stacking energy: -470.947
Base-Backbone interact. energy: -1.365
local terms energy: -553.272425
where:
bonds (distance) C4'-P energy: -128.486
bonds (distance) P-C4' energy: -116.767
flat angles C4'-P-C4' energy: -119.754
flat angles P-C4'-P energy: -69.504
tors. eta vs tors. theta energy: -118.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1241.735920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.735920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.735920 (E_RNA)
where:
Base-Base interactions energy: -764.884
where: short stacking energy: -371.551
Base-Backbone interact. energy: 0.454
local terms energy: -477.305839
where:
bonds (distance) C4'-P energy: -100.224
bonds (distance) P-C4' energy: -99.513
flat angles C4'-P-C4' energy: -116.889
flat angles P-C4'-P energy: -86.745
tors. eta vs tors. theta energy: -73.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -941.313204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.313204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.313204 (E_RNA)
where:
Base-Base interactions energy: -507.651
where: short stacking energy: -280.104
Base-Backbone interact. energy: -2.433
local terms energy: -431.228697
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -131.558
flat angles C4'-P-C4' energy: -110.942
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -32.968
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: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -846.002125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.002125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.002125 (E_RNA)
where:
Base-Base interactions energy: -491.006
where: short stacking energy: -240.449
Base-Backbone interact. energy: 2.030
local terms energy: -357.026531
where:
bonds (distance) C4'-P energy: -75.119
bonds (distance) P-C4' energy: -106.005
flat angles C4'-P-C4' energy: -111.205
flat angles P-C4'-P energy: -63.407
tors. eta vs tors. theta energy: -1.290
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: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2232.351241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.351241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.351241 (E_RNA)
where:
Base-Base interactions energy: -1557.843
where: short stacking energy: -660.468
Base-Backbone interact. energy: -5.897
local terms energy: -668.610833
where:
bonds (distance) C4'-P energy: -130.076
bonds (distance) P-C4' energy: -130.070
flat angles C4'-P-C4' energy: -127.924
flat angles P-C4'-P energy: -107.915
tors. eta vs tors. theta energy: -172.626
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: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2201.904474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.904474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.904474 (E_RNA)
where:
Base-Base interactions energy: -1512.733
where: short stacking energy: -653.612
Base-Backbone interact. energy: -1.877
local terms energy: -687.294560
where:
bonds (distance) C4'-P energy: -121.560
bonds (distance) P-C4' energy: -132.998
flat angles C4'-P-C4' energy: -143.313
flat angles P-C4'-P energy: -106.208
tors. eta vs tors. theta energy: -183.217
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: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2192.436814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.436814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.436814 (E_RNA)
where:
Base-Base interactions energy: -1534.588
where: short stacking energy: -610.691
Base-Backbone interact. energy: 1.362
local terms energy: -659.211093
where:
bonds (distance) C4'-P energy: -120.953
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -149.753
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -178.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2078.154815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.154815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.154815 (E_RNA)
where:
Base-Base interactions energy: -1439.752
where: short stacking energy: -587.318
Base-Backbone interact. energy: -1.657
local terms energy: -636.745624
where:
bonds (distance) C4'-P energy: -119.853
bonds (distance) P-C4' energy: -116.560
flat angles C4'-P-C4' energy: -147.543
flat angles P-C4'-P energy: -93.228
tors. eta vs tors. theta energy: -159.561
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: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1937.533202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.533202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.533202 (E_RNA)
where:
Base-Base interactions energy: -1307.016
where: short stacking energy: -575.504
Base-Backbone interact. energy: 2.217
local terms energy: -632.734129
where:
bonds (distance) C4'-P energy: -118.459
bonds (distance) P-C4' energy: -120.907
flat angles C4'-P-C4' energy: -149.550
flat angles P-C4'-P energy: -85.268
tors. eta vs tors. theta energy: -158.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1625.601147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.601147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.601147 (E_RNA)
where:
Base-Base interactions energy: -1059.553
where: short stacking energy: -475.995
Base-Backbone interact. energy: -0.929
local terms energy: -565.119645
where:
bonds (distance) C4'-P energy: -116.837
bonds (distance) P-C4' energy: -115.410
flat angles C4'-P-C4' energy: -136.419
flat angles P-C4'-P energy: -90.744
tors. eta vs tors. theta energy: -105.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1462.380421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.380421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.380421 (E_RNA)
where:
Base-Base interactions energy: -932.477
where: short stacking energy: -413.376
Base-Backbone interact. energy: -1.627
local terms energy: -528.276507
where:
bonds (distance) C4'-P energy: -101.458
bonds (distance) P-C4' energy: -134.325
flat angles C4'-P-C4' energy: -112.037
flat angles P-C4'-P energy: -79.439
tors. eta vs tors. theta energy: -101.017
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: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1241.467045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.467045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.467045 (E_RNA)
where:
Base-Base interactions energy: -765.562
where: short stacking energy: -377.654
Base-Backbone interact. energy: 2.787
local terms energy: -478.691702
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -116.479
flat angles C4'-P-C4' energy: -107.642
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -69.040
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -916.069288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.069288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.069288 (E_RNA)
where:
Base-Base interactions energy: -535.252
where: short stacking energy: -281.651
Base-Backbone interact. energy: -1.410
local terms energy: -379.407117
where:
bonds (distance) C4'-P energy: -83.552
bonds (distance) P-C4' energy: -108.136
flat angles C4'-P-C4' energy: -90.679
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: -27.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -837.136578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.136578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.136578 (E_RNA)
where:
Base-Base interactions energy: -462.495
where: short stacking energy: -237.325
Base-Backbone interact. energy: 3.569
local terms energy: -378.209827
where:
bonds (distance) C4'-P energy: -84.013
bonds (distance) P-C4' energy: -115.934
flat angles C4'-P-C4' energy: -101.119
flat angles P-C4'-P energy: -51.547
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2250.447881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.447881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.447881 (E_RNA)
where:
Base-Base interactions energy: -1548.947
where: short stacking energy: -636.038
Base-Backbone interact. energy: -2.438
local terms energy: -699.062690
where:
bonds (distance) C4'-P energy: -137.269
bonds (distance) P-C4' energy: -135.981
flat angles C4'-P-C4' energy: -156.488
flat angles P-C4'-P energy: -98.964
tors. eta vs tors. theta energy: -170.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2189.394305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.394305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.394305 (E_RNA)
where:
Base-Base interactions energy: -1488.066
where: short stacking energy: -651.908
Base-Backbone interact. energy: 4.187
local terms energy: -705.515589
where:
bonds (distance) C4'-P energy: -123.868
bonds (distance) P-C4' energy: -143.067
flat angles C4'-P-C4' energy: -158.436
flat angles P-C4'-P energy: -94.288
tors. eta vs tors. theta energy: -185.856
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: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2146.894722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.894722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.894722 (E_RNA)
where:
Base-Base interactions energy: -1476.329
where: short stacking energy: -610.416
Base-Backbone interact. energy: -4.652
local terms energy: -665.914196
where:
bonds (distance) C4'-P energy: -117.347
bonds (distance) P-C4' energy: -123.163
flat angles C4'-P-C4' energy: -157.279
flat angles P-C4'-P energy: -90.971
tors. eta vs tors. theta energy: -177.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2072.528159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.528159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.528159 (E_RNA)
where:
Base-Base interactions energy: -1427.268
where: short stacking energy: -629.602
Base-Backbone interact. energy: -3.113
local terms energy: -642.147475
where:
bonds (distance) C4'-P energy: -115.074
bonds (distance) P-C4' energy: -124.225
flat angles C4'-P-C4' energy: -138.216
flat angles P-C4'-P energy: -95.620
tors. eta vs tors. theta energy: -169.013
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: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1928.677550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.677550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.677550 (E_RNA)
where:
Base-Base interactions energy: -1311.915
where: short stacking energy: -599.229
Base-Backbone interact. energy: 1.399
local terms energy: -618.161454
where:
bonds (distance) C4'-P energy: -104.230
bonds (distance) P-C4' energy: -117.872
flat angles C4'-P-C4' energy: -136.787
flat angles P-C4'-P energy: -95.098
tors. eta vs tors. theta energy: -164.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1667.176702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.176702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.176702 (E_RNA)
where:
Base-Base interactions energy: -1109.892
where: short stacking energy: -500.163
Base-Backbone interact. energy: -0.617
local terms energy: -556.667855
where:
bonds (distance) C4'-P energy: -107.737
bonds (distance) P-C4' energy: -122.920
flat angles C4'-P-C4' energy: -123.924
flat angles P-C4'-P energy: -74.863
tors. eta vs tors. theta energy: -127.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1486.967602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.967602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.967602 (E_RNA)
where:
Base-Base interactions energy: -940.792
where: short stacking energy: -434.632
Base-Backbone interact. energy: 0.415
local terms energy: -546.590015
where:
bonds (distance) C4'-P energy: -121.999
bonds (distance) P-C4' energy: -122.689
flat angles C4'-P-C4' energy: -113.685
flat angles P-C4'-P energy: -75.001
tors. eta vs tors. theta energy: -113.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1118.918877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.918877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.918877 (E_RNA)
where:
Base-Base interactions energy: -655.899
where: short stacking energy: -269.227
Base-Backbone interact. energy: 0.299
local terms energy: -463.319413
where:
bonds (distance) C4'-P energy: -106.267
bonds (distance) P-C4' energy: -119.691
flat angles C4'-P-C4' energy: -118.602
flat angles P-C4'-P energy: -78.098
tors. eta vs tors. theta energy: -40.661
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: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -905.455954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.455954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.455954 (E_RNA)
where:
Base-Base interactions energy: -509.884
where: short stacking energy: -286.906
Base-Backbone interact. energy: 1.733
local terms energy: -397.304980
where:
bonds (distance) C4'-P energy: -85.043
bonds (distance) P-C4' energy: -124.583
flat angles C4'-P-C4' energy: -111.389
flat angles P-C4'-P energy: -51.343
tors. eta vs tors. theta energy: -24.947
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: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -773.982019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.982019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.982019 (E_RNA)
where:
Base-Base interactions energy: -428.041
where: short stacking energy: -235.869
Base-Backbone interact. energy: 3.771
local terms energy: -349.712271
where:
bonds (distance) C4'-P energy: -91.945
bonds (distance) P-C4' energy: -104.907
flat angles C4'-P-C4' energy: -96.586
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2256.820246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.820246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.820246 (E_RNA)
where:
Base-Base interactions energy: -1571.048
where: short stacking energy: -654.497
Base-Backbone interact. energy: -4.318
local terms energy: -681.454270
where:
bonds (distance) C4'-P energy: -122.774
bonds (distance) P-C4' energy: -140.530
flat angles C4'-P-C4' energy: -151.050
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -172.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2219.446772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.446772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.446772 (E_RNA)
where:
Base-Base interactions energy: -1546.999
where: short stacking energy: -643.517
Base-Backbone interact. energy: -4.233
local terms energy: -668.214465
where:
bonds (distance) C4'-P energy: -115.091
bonds (distance) P-C4' energy: -119.712
flat angles C4'-P-C4' energy: -151.250
flat angles P-C4'-P energy: -99.537
tors. eta vs tors. theta energy: -182.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2152.220515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.220515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.220515 (E_RNA)
where:
Base-Base interactions energy: -1504.415
where: short stacking energy: -640.378
Base-Backbone interact. energy: -3.023
local terms energy: -644.782442
where:
bonds (distance) C4'-P energy: -121.620
bonds (distance) P-C4' energy: -123.572
flat angles C4'-P-C4' energy: -148.347
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -173.102
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: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2019.558134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.558134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.558134 (E_RNA)
where:
Base-Base interactions energy: -1394.063
where: short stacking energy: -563.938
Base-Backbone interact. energy: -2.496
local terms energy: -622.998682
where:
bonds (distance) C4'-P energy: -120.309
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -139.471
flat angles P-C4'-P energy: -94.436
tors. eta vs tors. theta energy: -146.445
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: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1929.136203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.136203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.136203 (E_RNA)
where:
Base-Base interactions energy: -1284.446
where: short stacking energy: -568.799
Base-Backbone interact. energy: -2.854
local terms energy: -641.836371
where:
bonds (distance) C4'-P energy: -129.847
bonds (distance) P-C4' energy: -130.171
flat angles C4'-P-C4' energy: -138.742
flat angles P-C4'-P energy: -83.116
tors. eta vs tors. theta energy: -159.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1659.939905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.939905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.939905 (E_RNA)
where:
Base-Base interactions energy: -1097.313
where: short stacking energy: -485.540
Base-Backbone interact. energy: -3.756
local terms energy: -558.870884
where:
bonds (distance) C4'-P energy: -110.712
bonds (distance) P-C4' energy: -127.783
flat angles C4'-P-C4' energy: -126.294
flat angles P-C4'-P energy: -67.925
tors. eta vs tors. theta energy: -126.156
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: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1489.167873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.167873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.167873 (E_RNA)
where:
Base-Base interactions energy: -952.870
where: short stacking energy: -448.801
Base-Backbone interact. energy: 1.189
local terms energy: -537.487231
where:
bonds (distance) C4'-P energy: -121.040
bonds (distance) P-C4' energy: -115.916
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -74.645
tors. eta vs tors. theta energy: -116.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1091.511953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.511953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.511953 (E_RNA)
where:
Base-Base interactions energy: -663.878
where: short stacking energy: -291.744
Base-Backbone interact. energy: 4.740
local terms energy: -432.374371
where:
bonds (distance) C4'-P energy: -90.396
bonds (distance) P-C4' energy: -120.772
flat angles C4'-P-C4' energy: -113.927
flat angles P-C4'-P energy: -64.604
tors. eta vs tors. theta energy: -42.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -946.423082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.423082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.423082 (E_RNA)
where:
Base-Base interactions energy: -530.067
where: short stacking energy: -271.657
Base-Backbone interact. energy: -2.343
local terms energy: -414.012415
where:
bonds (distance) C4'-P energy: -121.125
bonds (distance) P-C4' energy: -104.684
flat angles C4'-P-C4' energy: -96.408
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -29.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -723.547124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.547124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.547124 (E_RNA)
where:
Base-Base interactions energy: -361.939
where: short stacking energy: -222.719
Base-Backbone interact. energy: 7.898
local terms energy: -369.506106
where:
bonds (distance) C4'-P energy: -97.586
bonds (distance) P-C4' energy: -110.895
flat angles C4'-P-C4' energy: -78.525
flat angles P-C4'-P energy: -68.023
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2251.706491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.706491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.706491 (E_RNA)
where:
Base-Base interactions energy: -1574.093
where: short stacking energy: -658.491
Base-Backbone interact. energy: -5.093
local terms energy: -672.520371
where:
bonds (distance) C4'-P energy: -133.998
bonds (distance) P-C4' energy: -117.858
flat angles C4'-P-C4' energy: -154.990
flat angles P-C4'-P energy: -97.775
tors. eta vs tors. theta energy: -167.899
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: 157
Temperature: 0.950000
Total energy: -2231.868136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.868136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.868136 (E_RNA)
where:
Base-Base interactions energy: -1512.315
where: short stacking energy: -648.499
Base-Backbone interact. energy: 3.952
local terms energy: -723.504621
where:
bonds (distance) C4'-P energy: -145.601
bonds (distance) P-C4' energy: -125.251
flat angles C4'-P-C4' energy: -147.117
flat angles P-C4'-P energy: -110.023
tors. eta vs tors. theta energy: -195.513
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: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2127.005003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.005003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.005003 (E_RNA)
where:
Base-Base interactions energy: -1480.958
where: short stacking energy: -621.781
Base-Backbone interact. energy: -5.541
local terms energy: -640.506329
where:
bonds (distance) C4'-P energy: -123.727
bonds (distance) P-C4' energy: -124.747
flat angles C4'-P-C4' energy: -133.495
flat angles P-C4'-P energy: -85.700
tors. eta vs tors. theta energy: -172.838
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: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2075.869838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.869838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.869838 (E_RNA)
where:
Base-Base interactions energy: -1443.496
where: short stacking energy: -615.797
Base-Backbone interact. energy: 2.531
local terms energy: -634.904566
where:
bonds (distance) C4'-P energy: -103.549
bonds (distance) P-C4' energy: -134.102
flat angles C4'-P-C4' energy: -141.310
flat angles P-C4'-P energy: -83.758
tors. eta vs tors. theta energy: -172.186
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: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1871.803927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.803927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.803927 (E_RNA)
where:
Base-Base interactions energy: -1272.253
where: short stacking energy: -545.450
Base-Backbone interact. energy: -4.215
local terms energy: -595.336509
where:
bonds (distance) C4'-P energy: -114.342
bonds (distance) P-C4' energy: -115.842
flat angles C4'-P-C4' energy: -133.234
flat angles P-C4'-P energy: -87.868
tors. eta vs tors. theta energy: -144.050
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: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1641.836848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.836848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.836848 (E_RNA)
where:
Base-Base interactions energy: -1074.445
where: short stacking energy: -485.899
Base-Backbone interact. energy: -0.598
local terms energy: -566.794166
where:
bonds (distance) C4'-P energy: -118.189
bonds (distance) P-C4' energy: -122.327
flat angles C4'-P-C4' energy: -130.660
flat angles P-C4'-P energy: -79.697
tors. eta vs tors. theta energy: -115.921
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: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1457.449083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.449083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.449083 (E_RNA)
where:
Base-Base interactions energy: -922.913
where: short stacking energy: -427.631
Base-Backbone interact. energy: -1.695
local terms energy: -532.840997
where:
bonds (distance) C4'-P energy: -121.669
bonds (distance) P-C4' energy: -124.847
flat angles C4'-P-C4' energy: -112.109
flat angles P-C4'-P energy: -66.997
tors. eta vs tors. theta energy: -107.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1208.505615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.505615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.505615 (E_RNA)
where:
Base-Base interactions energy: -765.988
where: short stacking energy: -363.079
Base-Backbone interact. energy: 5.950
local terms energy: -448.468001
where:
bonds (distance) C4'-P energy: -88.405
bonds (distance) P-C4' energy: -111.374
flat angles C4'-P-C4' energy: -100.769
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -79.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -896.988755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.988755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.988755 (E_RNA)
where:
Base-Base interactions energy: -497.915
where: short stacking energy: -219.954
Base-Backbone interact. energy: 1.207
local terms energy: -400.281198
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -110.142
flat angles C4'-P-C4' energy: -98.960
flat angles P-C4'-P energy: -62.082
tors. eta vs tors. theta energy: -25.552
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: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -724.671170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.671170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.671170 (E_RNA)
where:
Base-Base interactions energy: -354.520
where: short stacking energy: -219.844
Base-Backbone interact. energy: 7.223
local terms energy: -377.374020
where:
bonds (distance) C4'-P energy: -99.429
bonds (distance) P-C4' energy: -120.013
flat angles C4'-P-C4' energy: -87.181
flat angles P-C4'-P energy: -75.704
tors. eta vs tors. theta energy: 4.952
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: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2277.352917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.352917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.352917 (E_RNA)
where:
Base-Base interactions energy: -1608.467
where: short stacking energy: -660.777
Base-Backbone interact. energy: 0.571
local terms energy: -669.456129
where:
bonds (distance) C4'-P energy: -129.646
bonds (distance) P-C4' energy: -131.701
flat angles C4'-P-C4' energy: -144.430
flat angles P-C4'-P energy: -91.497
tors. eta vs tors. theta energy: -172.183
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: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2211.561931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.561931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.561931 (E_RNA)
where:
Base-Base interactions energy: -1513.019
where: short stacking energy: -651.363
Base-Backbone interact. energy: -2.921
local terms energy: -695.621220
where:
bonds (distance) C4'-P energy: -135.095
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -151.741
flat angles P-C4'-P energy: -88.898
tors. eta vs tors. theta energy: -182.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2137.523655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.523655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.523655 (E_RNA)
where:
Base-Base interactions energy: -1461.843
where: short stacking energy: -599.279
Base-Backbone interact. energy: -2.117
local terms energy: -673.563268
where:
bonds (distance) C4'-P energy: -131.691
bonds (distance) P-C4' energy: -130.522
flat angles C4'-P-C4' energy: -147.507
flat angles P-C4'-P energy: -92.525
tors. eta vs tors. theta energy: -171.318
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: 158
Temperature: 1.050000
Total energy: -2042.931188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.931188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.931188 (E_RNA)
where:
Base-Base interactions energy: -1411.584
where: short stacking energy: -594.931
Base-Backbone interact. energy: -0.775
local terms energy: -630.572226
where:
bonds (distance) C4'-P energy: -123.439
bonds (distance) P-C4' energy: -118.219
flat angles C4'-P-C4' energy: -138.913
flat angles P-C4'-P energy: -86.274
tors. eta vs tors. theta energy: -163.726
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1871.482052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.482052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.482052 (E_RNA)
where:
Base-Base interactions energy: -1271.796
where: short stacking energy: -532.692
Base-Backbone interact. energy: -0.672
local terms energy: -599.013089
where:
bonds (distance) C4'-P energy: -113.179
bonds (distance) P-C4' energy: -117.713
flat angles C4'-P-C4' energy: -133.637
flat angles P-C4'-P energy: -86.660
tors. eta vs tors. theta energy: -147.824
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1729.837568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.837568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.837568 (E_RNA)
where:
Base-Base interactions energy: -1147.308
where: short stacking energy: -493.105
Base-Backbone interact. energy: -1.516
local terms energy: -581.014273
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -117.560
flat angles C4'-P-C4' energy: -126.494
flat angles P-C4'-P energy: -87.866
tors. eta vs tors. theta energy: -127.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1483.474612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.474612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.474612 (E_RNA)
where:
Base-Base interactions energy: -947.653
where: short stacking energy: -449.489
Base-Backbone interact. energy: 0.365
local terms energy: -536.187111
where:
bonds (distance) C4'-P energy: -106.968
bonds (distance) P-C4' energy: -118.599
flat angles C4'-P-C4' energy: -126.891
flat angles P-C4'-P energy: -79.953
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: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1263.064723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.064723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.064723 (E_RNA)
where:
Base-Base interactions energy: -799.737
where: short stacking energy: -378.099
Base-Backbone interact. energy: -1.501
local terms energy: -461.826643
where:
bonds (distance) C4'-P energy: -113.201
bonds (distance) P-C4' energy: -100.978
flat angles C4'-P-C4' energy: -103.251
flat angles P-C4'-P energy: -62.152
tors. eta vs tors. theta energy: -82.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -871.884081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.884081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.884081 (E_RNA)
where:
Base-Base interactions energy: -493.519
where: short stacking energy: -247.293
Base-Backbone interact. energy: -1.788
local terms energy: -376.576142
where:
bonds (distance) C4'-P energy: -104.048
bonds (distance) P-C4' energy: -112.943
flat angles C4'-P-C4' energy: -89.704
flat angles P-C4'-P energy: -50.218
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -694.559178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.559178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.559178 (E_RNA)
where:
Base-Base interactions energy: -329.600
where: short stacking energy: -206.132
Base-Backbone interact. energy: 5.002
local terms energy: -369.960330
where:
bonds (distance) C4'-P energy: -112.444
bonds (distance) P-C4' energy: -95.384
flat angles C4'-P-C4' energy: -93.538
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -8.935
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: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2250.724838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.724838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.724838 (E_RNA)
where:
Base-Base interactions energy: -1580.581
where: short stacking energy: -663.314
Base-Backbone interact. energy: -4.670
local terms energy: -665.473958
where:
bonds (distance) C4'-P energy: -110.184
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -141.206
flat angles P-C4'-P energy: -106.638
tors. eta vs tors. theta energy: -172.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2224.736677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.736677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.736677 (E_RNA)
where:
Base-Base interactions energy: -1512.983
where: short stacking energy: -654.242
Base-Backbone interact. energy: -4.905
local terms energy: -706.848100
where:
bonds (distance) C4'-P energy: -129.390
bonds (distance) P-C4' energy: -136.077
flat angles C4'-P-C4' energy: -157.046
flat angles P-C4'-P energy: -90.754
tors. eta vs tors. theta energy: -193.580
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: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2124.118550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.118550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.118550 (E_RNA)
where:
Base-Base interactions energy: -1474.346
where: short stacking energy: -632.635
Base-Backbone interact. energy: -1.906
local terms energy: -647.867037
where:
bonds (distance) C4'-P energy: -107.266
bonds (distance) P-C4' energy: -138.860
flat angles C4'-P-C4' energy: -142.728
flat angles P-C4'-P energy: -93.867
tors. eta vs tors. theta energy: -165.147
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: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2039.924061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.924061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.924061 (E_RNA)
where:
Base-Base interactions energy: -1411.487
where: short stacking energy: -605.046
Base-Backbone interact. energy: 6.731
local terms energy: -635.168415
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -122.862
flat angles C4'-P-C4' energy: -135.293
flat angles P-C4'-P energy: -92.290
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: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1931.666611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.666611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.666611 (E_RNA)
where:
Base-Base interactions energy: -1306.271
where: short stacking energy: -584.511
Base-Backbone interact. energy: 0.864
local terms energy: -626.259416
where:
bonds (distance) C4'-P energy: -109.286
bonds (distance) P-C4' energy: -128.332
flat angles C4'-P-C4' energy: -129.384
flat angles P-C4'-P energy: -91.429
tors. eta vs tors. theta energy: -167.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1747.734013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.734013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.734013 (E_RNA)
where:
Base-Base interactions energy: -1184.747
where: short stacking energy: -534.954
Base-Backbone interact. energy: 1.056
local terms energy: -564.043237
where:
bonds (distance) C4'-P energy: -112.034
bonds (distance) P-C4' energy: -113.528
flat angles C4'-P-C4' energy: -116.013
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -147.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1437.977568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.977568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.977568 (E_RNA)
where:
Base-Base interactions energy: -924.620
where: short stacking energy: -455.083
Base-Backbone interact. energy: -1.135
local terms energy: -512.223266
where:
bonds (distance) C4'-P energy: -124.938
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -119.745
flat angles P-C4'-P energy: -57.326
tors. eta vs tors. theta energy: -108.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1215.827884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.827884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.827884 (E_RNA)
where:
Base-Base interactions energy: -739.759
where: short stacking energy: -356.820
Base-Backbone interact. energy: 3.611
local terms energy: -479.679674
where:
bonds (distance) C4'-P energy: -118.937
bonds (distance) P-C4' energy: -109.616
flat angles C4'-P-C4' energy: -117.093
flat angles P-C4'-P energy: -71.361
tors. eta vs tors. theta energy: -62.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -877.770443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.770443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.770443 (E_RNA)
where:
Base-Base interactions energy: -489.882
where: short stacking energy: -268.219
Base-Backbone interact. energy: -2.088
local terms energy: -385.800772
where:
bonds (distance) C4'-P energy: -88.871
bonds (distance) P-C4' energy: -114.107
flat angles C4'-P-C4' energy: -103.719
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -13.373
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: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -676.445632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.445632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.445632 (E_RNA)
where:
Base-Base interactions energy: -316.122
where: short stacking energy: -198.699
Base-Backbone interact. energy: -2.851
local terms energy: -357.473466
where:
bonds (distance) C4'-P energy: -109.977
bonds (distance) P-C4' energy: -113.536
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -50.801
tors. eta vs tors. theta energy: 5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2289.808958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.808958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.808958 (E_RNA)
where:
Base-Base interactions energy: -1569.999
where: short stacking energy: -669.857
Base-Backbone interact. energy: -6.041
local terms energy: -713.768149
where:
bonds (distance) C4'-P energy: -132.371
bonds (distance) P-C4' energy: -122.444
flat angles C4'-P-C4' energy: -146.996
flat angles P-C4'-P energy: -113.475
tors. eta vs tors. theta energy: -198.483
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: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2230.649544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.649544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.649544 (E_RNA)
where:
Base-Base interactions energy: -1563.399
where: short stacking energy: -659.173
Base-Backbone interact. energy: -4.437
local terms energy: -662.813391
where:
bonds (distance) C4'-P energy: -115.654
bonds (distance) P-C4' energy: -126.344
flat angles C4'-P-C4' energy: -144.624
flat angles P-C4'-P energy: -100.721
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: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2091.080744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.080744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.080744 (E_RNA)
where:
Base-Base interactions energy: -1443.760
where: short stacking energy: -592.756
Base-Backbone interact. energy: -2.954
local terms energy: -644.366267
where:
bonds (distance) C4'-P energy: -120.864
bonds (distance) P-C4' energy: -129.371
flat angles C4'-P-C4' energy: -137.104
flat angles P-C4'-P energy: -90.485
tors. eta vs tors. theta energy: -166.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2028.308130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.308130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.308130 (E_RNA)
where:
Base-Base interactions energy: -1378.094
where: short stacking energy: -567.879
Base-Backbone interact. energy: -5.037
local terms energy: -645.177188
where:
bonds (distance) C4'-P energy: -119.449
bonds (distance) P-C4' energy: -122.994
flat angles C4'-P-C4' energy: -152.884
flat angles P-C4'-P energy: -90.656
tors. eta vs tors. theta energy: -159.195
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1911.466668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.466668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.466668 (E_RNA)
where:
Base-Base interactions energy: -1320.838
where: short stacking energy: -547.492
Base-Backbone interact. energy: 4.347
local terms energy: -594.975761
where:
bonds (distance) C4'-P energy: -136.446
bonds (distance) P-C4' energy: -109.403
flat angles C4'-P-C4' energy: -124.820
flat angles P-C4'-P energy: -75.075
tors. eta vs tors. theta energy: -149.232
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: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1720.351893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.351893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.351893 (E_RNA)
where:
Base-Base interactions energy: -1143.224
where: short stacking energy: -517.246
Base-Backbone interact. energy: 0.384
local terms energy: -577.511773
where:
bonds (distance) C4'-P energy: -106.372
bonds (distance) P-C4' energy: -125.821
flat angles C4'-P-C4' energy: -129.358
flat angles P-C4'-P energy: -75.483
tors. eta vs tors. theta energy: -140.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1439.664002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.664002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.664002 (E_RNA)
where:
Base-Base interactions energy: -944.066
where: short stacking energy: -409.034
Base-Backbone interact. energy: -3.229
local terms energy: -492.369552
where:
bonds (distance) C4'-P energy: -109.168
bonds (distance) P-C4' energy: -115.422
flat angles C4'-P-C4' energy: -102.806
flat angles P-C4'-P energy: -69.398
tors. eta vs tors. theta energy: -95.576
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: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1239.884643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.884643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.884643 (E_RNA)
where:
Base-Base interactions energy: -769.021
where: short stacking energy: -352.524
Base-Backbone interact. energy: -1.975
local terms energy: -468.888912
where:
bonds (distance) C4'-P energy: -101.514
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -109.753
flat angles P-C4'-P energy: -75.545
tors. eta vs tors. theta energy: -75.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -899.578427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.578427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.578427 (E_RNA)
where:
Base-Base interactions energy: -481.081
where: short stacking energy: -252.296
Base-Backbone interact. energy: -2.982
local terms energy: -415.515324
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -121.024
flat angles C4'-P-C4' energy: -101.905
flat angles P-C4'-P energy: -54.349
tors. eta vs tors. theta energy: -24.947
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: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -636.338049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.338049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.338049 (E_RNA)
where:
Base-Base interactions energy: -287.946
where: short stacking energy: -170.058
Base-Backbone interact. energy: -2.587
local terms energy: -345.805210
where:
bonds (distance) C4'-P energy: -105.028
bonds (distance) P-C4' energy: -124.116
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -53.461
tors. eta vs tors. theta energy: 13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2276.040410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.040410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.040410 (E_RNA)
where:
Base-Base interactions energy: -1546.639
where: short stacking energy: -648.106
Base-Backbone interact. energy: 0.262
local terms energy: -729.663918
where:
bonds (distance) C4'-P energy: -126.170
bonds (distance) P-C4' energy: -146.048
flat angles C4'-P-C4' energy: -153.368
flat angles P-C4'-P energy: -106.012
tors. eta vs tors. theta energy: -198.067
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2217.662212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.662212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.662212 (E_RNA)
where:
Base-Base interactions energy: -1546.566
where: short stacking energy: -638.099
Base-Backbone interact. energy: -0.447
local terms energy: -670.649013
where:
bonds (distance) C4'-P energy: -127.143
bonds (distance) P-C4' energy: -137.276
flat angles C4'-P-C4' energy: -154.209
flat angles P-C4'-P energy: -89.776
tors. eta vs tors. theta energy: -162.245
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: 161
Temperature: 1.000000
Total energy: -2120.941349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.941349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.941349 (E_RNA)
where:
Base-Base interactions energy: -1476.208
where: short stacking energy: -657.585
Base-Backbone interact. energy: -1.818
local terms energy: -642.915144
where:
bonds (distance) C4'-P energy: -115.028
bonds (distance) P-C4' energy: -123.077
flat angles C4'-P-C4' energy: -144.691
flat angles P-C4'-P energy: -77.337
tors. eta vs tors. theta energy: -182.783
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: 161
Temperature: 1.050000
Total energy: -2066.315023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.315023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.315023 (E_RNA)
where:
Base-Base interactions energy: -1428.460
where: short stacking energy: -583.600
Base-Backbone interact. energy: -5.770
local terms energy: -632.084453
where:
bonds (distance) C4'-P energy: -124.694
bonds (distance) P-C4' energy: -121.052
flat angles C4'-P-C4' energy: -126.859
flat angles P-C4'-P energy: -94.839
tors. eta vs tors. theta energy: -164.641
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: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1854.891485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.891485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.891485 (E_RNA)
where:
Base-Base interactions energy: -1236.910
where: short stacking energy: -560.718
Base-Backbone interact. energy: -4.209
local terms energy: -613.772397
where:
bonds (distance) C4'-P energy: -107.919
bonds (distance) P-C4' energy: -124.633
flat angles C4'-P-C4' energy: -133.145
flat angles P-C4'-P energy: -90.823
tors. eta vs tors. theta energy: -157.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1643.126620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.126620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.126620 (E_RNA)
where:
Base-Base interactions energy: -1098.520
where: short stacking energy: -491.090
Base-Backbone interact. energy: -1.639
local terms energy: -542.968464
where:
bonds (distance) C4'-P energy: -97.913
bonds (distance) P-C4' energy: -122.908
flat angles C4'-P-C4' energy: -113.788
flat angles P-C4'-P energy: -78.421
tors. eta vs tors. theta energy: -129.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1448.774017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.774017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.774017 (E_RNA)
where:
Base-Base interactions energy: -947.326
where: short stacking energy: -433.797
Base-Backbone interact. energy: -1.374
local terms energy: -500.074094
where:
bonds (distance) C4'-P energy: -113.694
bonds (distance) P-C4' energy: -91.762
flat angles C4'-P-C4' energy: -104.681
flat angles P-C4'-P energy: -87.128
tors. eta vs tors. theta energy: -102.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1207.254469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.254469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.254469 (E_RNA)
where:
Base-Base interactions energy: -761.071
where: short stacking energy: -373.774
Base-Backbone interact. energy: -0.003
local terms energy: -446.181049
where:
bonds (distance) C4'-P energy: -110.829
bonds (distance) P-C4' energy: -109.214
flat angles C4'-P-C4' energy: -87.091
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -77.221
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: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -847.079692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.079692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.079692 (E_RNA)
where:
Base-Base interactions energy: -448.972
where: short stacking energy: -257.743
Base-Backbone interact. energy: 6.922
local terms energy: -405.029763
where:
bonds (distance) C4'-P energy: -112.659
bonds (distance) P-C4' energy: -95.922
flat angles C4'-P-C4' energy: -111.011
flat angles P-C4'-P energy: -60.096
tors. eta vs tors. theta energy: -25.343
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: 161
Temperature: 1.350000
Total energy: -637.693661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.693661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.693661 (E_RNA)
where:
Base-Base interactions energy: -275.573
where: short stacking energy: -172.872
Base-Backbone interact. energy: 1.825
local terms energy: -363.946435
where:
bonds (distance) C4'-P energy: -86.782
bonds (distance) P-C4' energy: -111.143
flat angles C4'-P-C4' energy: -105.457
flat angles P-C4'-P energy: -66.721
tors. eta vs tors. theta energy: 6.157
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: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2273.313347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.313347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.313347 (E_RNA)
where:
Base-Base interactions energy: -1559.371
where: short stacking energy: -662.925
Base-Backbone interact. energy: -5.238
local terms energy: -708.704078
where:
bonds (distance) C4'-P energy: -130.964
bonds (distance) P-C4' energy: -135.177
flat angles C4'-P-C4' energy: -148.791
flat angles P-C4'-P energy: -105.574
tors. eta vs tors. theta energy: -188.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2203.600406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.600406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.600406 (E_RNA)
where:
Base-Base interactions energy: -1532.406
where: short stacking energy: -646.489
Base-Backbone interact. energy: -6.025
local terms energy: -665.168655
where:
bonds (distance) C4'-P energy: -123.523
bonds (distance) P-C4' energy: -123.103
flat angles C4'-P-C4' energy: -147.459
flat angles P-C4'-P energy: -98.452
tors. eta vs tors. theta energy: -172.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2151.857841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.857841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.857841 (E_RNA)
where:
Base-Base interactions energy: -1500.981
where: short stacking energy: -617.848
Base-Backbone interact. energy: -1.768
local terms energy: -649.108441
where:
bonds (distance) C4'-P energy: -123.001
bonds (distance) P-C4' energy: -124.836
flat angles C4'-P-C4' energy: -139.812
flat angles P-C4'-P energy: -79.654
tors. eta vs tors. theta energy: -181.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2067.005700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.005700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.005700 (E_RNA)
where:
Base-Base interactions energy: -1430.249
where: short stacking energy: -596.573
Base-Backbone interact. energy: -3.468
local terms energy: -633.289000
where:
bonds (distance) C4'-P energy: -113.820
bonds (distance) P-C4' energy: -112.571
flat angles C4'-P-C4' energy: -148.495
flat angles P-C4'-P energy: -100.702
tors. eta vs tors. theta energy: -157.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1850.605573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.605573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.605573 (E_RNA)
where:
Base-Base interactions energy: -1246.929
where: short stacking energy: -541.774
Base-Backbone interact. energy: 0.058
local terms energy: -603.735236
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -136.108
flat angles C4'-P-C4' energy: -127.203
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -157.937
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: 162
Temperature: 1.150000
Total energy: -1706.129091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.129091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.129091 (E_RNA)
where:
Base-Base interactions energy: -1135.753
where: short stacking energy: -500.889
Base-Backbone interact. energy: -2.295
local terms energy: -568.080380
where:
bonds (distance) C4'-P energy: -118.832
bonds (distance) P-C4' energy: -100.902
flat angles C4'-P-C4' energy: -128.509
flat angles P-C4'-P energy: -80.213
tors. eta vs tors. theta energy: -139.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1486.548392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.548392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.548392 (E_RNA)
where:
Base-Base interactions energy: -951.243
where: short stacking energy: -439.332
Base-Backbone interact. energy: -2.556
local terms energy: -532.749282
where:
bonds (distance) C4'-P energy: -111.253
bonds (distance) P-C4' energy: -116.302
flat angles C4'-P-C4' energy: -119.012
flat angles P-C4'-P energy: -77.187
tors. eta vs tors. theta energy: -108.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1271.923599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.923599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.923599 (E_RNA)
where:
Base-Base interactions energy: -789.507
where: short stacking energy: -375.006
Base-Backbone interact. energy: -0.877
local terms energy: -481.539960
where:
bonds (distance) C4'-P energy: -94.677
bonds (distance) P-C4' energy: -115.348
flat angles C4'-P-C4' energy: -101.564
flat angles P-C4'-P energy: -79.927
tors. eta vs tors. theta energy: -90.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -797.560349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.560349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.560349 (E_RNA)
where:
Base-Base interactions energy: -425.669
where: short stacking energy: -250.553
Base-Backbone interact. energy: -0.623
local terms energy: -371.268229
where:
bonds (distance) C4'-P energy: -104.347
bonds (distance) P-C4' energy: -105.036
flat angles C4'-P-C4' energy: -101.344
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -673.967897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.967897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.967897 (E_RNA)
where:
Base-Base interactions energy: -287.494
where: short stacking energy: -196.657
Base-Backbone interact. energy: -1.817
local terms energy: -384.655987
where:
bonds (distance) C4'-P energy: -87.307
bonds (distance) P-C4' energy: -130.385
flat angles C4'-P-C4' energy: -93.328
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -9.744
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: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2260.666911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.666911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.666911 (E_RNA)
where:
Base-Base interactions energy: -1564.270
where: short stacking energy: -669.787
Base-Backbone interact. energy: -3.805
local terms energy: -692.592051
where:
bonds (distance) C4'-P energy: -118.873
bonds (distance) P-C4' energy: -134.881
flat angles C4'-P-C4' energy: -151.801
flat angles P-C4'-P energy: -93.602
tors. eta vs tors. theta energy: -193.435
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: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2207.391327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.391327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.391327 (E_RNA)
where:
Base-Base interactions energy: -1559.213
where: short stacking energy: -618.645
Base-Backbone interact. energy: -4.538
local terms energy: -643.640459
where:
bonds (distance) C4'-P energy: -129.992
bonds (distance) P-C4' energy: -132.298
flat angles C4'-P-C4' energy: -127.190
flat angles P-C4'-P energy: -89.849
tors. eta vs tors. theta energy: -164.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2144.128793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.128793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.128793 (E_RNA)
where:
Base-Base interactions energy: -1498.264
where: short stacking energy: -604.324
Base-Backbone interact. energy: -3.316
local terms energy: -642.548963
where:
bonds (distance) C4'-P energy: -127.596
bonds (distance) P-C4' energy: -116.536
flat angles C4'-P-C4' energy: -144.223
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -170.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2078.706676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.706676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.706676 (E_RNA)
where:
Base-Base interactions energy: -1435.610
where: short stacking energy: -601.809
Base-Backbone interact. energy: -2.199
local terms energy: -640.898132
where:
bonds (distance) C4'-P energy: -125.089
bonds (distance) P-C4' energy: -120.878
flat angles C4'-P-C4' energy: -137.324
flat angles P-C4'-P energy: -94.468
tors. eta vs tors. theta energy: -163.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1851.527615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.527615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.527615 (E_RNA)
where:
Base-Base interactions energy: -1225.251
where: short stacking energy: -550.583
Base-Backbone interact. energy: -2.803
local terms energy: -623.472977
where:
bonds (distance) C4'-P energy: -122.637
bonds (distance) P-C4' energy: -123.432
flat angles C4'-P-C4' energy: -135.940
flat angles P-C4'-P energy: -89.893
tors. eta vs tors. theta energy: -151.571
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: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1723.213433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.213433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.213433 (E_RNA)
where:
Base-Base interactions energy: -1142.961
where: short stacking energy: -537.509
Base-Backbone interact. energy: -0.369
local terms energy: -579.883672
where:
bonds (distance) C4'-P energy: -87.631
bonds (distance) P-C4' energy: -118.394
flat angles C4'-P-C4' energy: -143.825
flat angles P-C4'-P energy: -85.980
tors. eta vs tors. theta energy: -144.053
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: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1438.560516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.560516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.560516 (E_RNA)
where:
Base-Base interactions energy: -917.909
where: short stacking energy: -440.216
Base-Backbone interact. energy: -1.419
local terms energy: -519.232174
where:
bonds (distance) C4'-P energy: -116.768
bonds (distance) P-C4' energy: -101.293
flat angles C4'-P-C4' energy: -112.678
flat angles P-C4'-P energy: -72.900
tors. eta vs tors. theta energy: -115.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1277.824438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.824438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.824438 (E_RNA)
where:
Base-Base interactions energy: -800.915
where: short stacking energy: -333.604
Base-Backbone interact. energy: -2.089
local terms energy: -474.821088
where:
bonds (distance) C4'-P energy: -106.241
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -127.966
flat angles P-C4'-P energy: -67.410
tors. eta vs tors. theta energy: -64.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -916.648035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.648035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.648035 (E_RNA)
where:
Base-Base interactions energy: -511.027
where: short stacking energy: -276.343
Base-Backbone interact. energy: -1.990
local terms energy: -403.631167
where:
bonds (distance) C4'-P energy: -105.742
bonds (distance) P-C4' energy: -113.619
flat angles C4'-P-C4' energy: -102.885
flat angles P-C4'-P energy: -61.293
tors. eta vs tors. theta energy: -20.092
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: 163
Temperature: 1.350000
Total energy: -672.640951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.640951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.640951 (E_RNA)
where:
Base-Base interactions energy: -333.093
where: short stacking energy: -180.782
Base-Backbone interact. energy: 1.384
local terms energy: -340.931950
where:
bonds (distance) C4'-P energy: -97.370
bonds (distance) P-C4' energy: -109.455
flat angles C4'-P-C4' energy: -97.967
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: 11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2277.380444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.380444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.380444 (E_RNA)
where:
Base-Base interactions energy: -1567.114
where: short stacking energy: -670.473
Base-Backbone interact. energy: -1.328
local terms energy: -708.938813
where:
bonds (distance) C4'-P energy: -137.978
bonds (distance) P-C4' energy: -134.353
flat angles C4'-P-C4' energy: -144.312
flat angles P-C4'-P energy: -100.940
tors. eta vs tors. theta energy: -191.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2219.174278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.174278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.174278 (E_RNA)
where:
Base-Base interactions energy: -1551.315
where: short stacking energy: -633.409
Base-Backbone interact. energy: -1.978
local terms energy: -665.880870
where:
bonds (distance) C4'-P energy: -119.232
bonds (distance) P-C4' energy: -124.526
flat angles C4'-P-C4' energy: -157.249
flat angles P-C4'-P energy: -104.385
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: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2131.513611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.513611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.513611 (E_RNA)
where:
Base-Base interactions energy: -1479.118
where: short stacking energy: -613.614
Base-Backbone interact. energy: 2.553
local terms energy: -654.949330
where:
bonds (distance) C4'-P energy: -121.111
bonds (distance) P-C4' energy: -129.853
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -85.994
tors. eta vs tors. theta energy: -168.210
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: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2082.279529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.279529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.279529 (E_RNA)
where:
Base-Base interactions energy: -1441.935
where: short stacking energy: -573.932
Base-Backbone interact. energy: -0.444
local terms energy: -639.900508
where:
bonds (distance) C4'-P energy: -126.020
bonds (distance) P-C4' energy: -142.981
flat angles C4'-P-C4' energy: -134.059
flat angles P-C4'-P energy: -82.323
tors. eta vs tors. theta energy: -154.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1846.801212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.801212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.801212 (E_RNA)
where:
Base-Base interactions energy: -1221.571
where: short stacking energy: -569.174
Base-Backbone interact. energy: -0.892
local terms energy: -624.338503
where:
bonds (distance) C4'-P energy: -115.111
bonds (distance) P-C4' energy: -143.171
flat angles C4'-P-C4' energy: -133.609
flat angles P-C4'-P energy: -74.160
tors. eta vs tors. theta energy: -158.287
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1676.146428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.146428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.146428 (E_RNA)
where:
Base-Base interactions energy: -1093.563
where: short stacking energy: -478.176
Base-Backbone interact. energy: -0.859
local terms energy: -581.725063
where:
bonds (distance) C4'-P energy: -108.987
bonds (distance) P-C4' energy: -113.263
flat angles C4'-P-C4' energy: -133.133
flat angles P-C4'-P energy: -90.758
tors. eta vs tors. theta energy: -135.584
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: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1396.338340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.338340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.338340 (E_RNA)
where:
Base-Base interactions energy: -895.548
where: short stacking energy: -413.601
Base-Backbone interact. energy: -2.131
local terms energy: -498.659908
where:
bonds (distance) C4'-P energy: -109.140
bonds (distance) P-C4' energy: -121.619
flat angles C4'-P-C4' energy: -107.195
flat angles P-C4'-P energy: -71.476
tors. eta vs tors. theta energy: -89.230
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1238.365162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.365162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.365162 (E_RNA)
where:
Base-Base interactions energy: -757.910
where: short stacking energy: -341.272
Base-Backbone interact. energy: -2.625
local terms energy: -477.830027
where:
bonds (distance) C4'-P energy: -116.955
bonds (distance) P-C4' energy: -127.399
flat angles C4'-P-C4' energy: -97.849
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -65.175
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: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -923.478161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.478161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.478161 (E_RNA)
where:
Base-Base interactions energy: -513.344
where: short stacking energy: -281.785
Base-Backbone interact. energy: 2.896
local terms energy: -413.030540
where:
bonds (distance) C4'-P energy: -109.464
bonds (distance) P-C4' energy: -98.187
flat angles C4'-P-C4' energy: -109.867
flat angles P-C4'-P energy: -59.559
tors. eta vs tors. theta energy: -35.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -635.824199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.824199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.824199 (E_RNA)
where:
Base-Base interactions energy: -278.603
where: short stacking energy: -168.812
Base-Backbone interact. energy: -3.404
local terms energy: -353.816239
where:
bonds (distance) C4'-P energy: -93.561
bonds (distance) P-C4' energy: -116.823
flat angles C4'-P-C4' energy: -112.137
flat angles P-C4'-P energy: -57.558
tors. eta vs tors. theta energy: 26.262
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: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2246.695146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.695146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.695146 (E_RNA)
where:
Base-Base interactions energy: -1549.218
where: short stacking energy: -657.558
Base-Backbone interact. energy: -0.279
local terms energy: -697.198843
where:
bonds (distance) C4'-P energy: -117.730
bonds (distance) P-C4' energy: -139.759
flat angles C4'-P-C4' energy: -146.913
flat angles P-C4'-P energy: -106.621
tors. eta vs tors. theta energy: -186.176
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: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2208.186705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.186705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.186705 (E_RNA)
where:
Base-Base interactions energy: -1529.268
where: short stacking energy: -638.265
Base-Backbone interact. energy: -6.808
local terms energy: -672.111239
where:
bonds (distance) C4'-P energy: -125.353
bonds (distance) P-C4' energy: -139.459
flat angles C4'-P-C4' energy: -141.401
flat angles P-C4'-P energy: -105.484
tors. eta vs tors. theta energy: -160.416
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: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2150.384151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.384151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.384151 (E_RNA)
where:
Base-Base interactions energy: -1498.836
where: short stacking energy: -631.117
Base-Backbone interact. energy: 1.916
local terms energy: -653.463702
where:
bonds (distance) C4'-P energy: -118.550
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -141.847
flat angles P-C4'-P energy: -94.755
tors. eta vs tors. theta energy: -175.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2034.927958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.927958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.927958 (E_RNA)
where:
Base-Base interactions energy: -1408.879
where: short stacking energy: -578.236
Base-Backbone interact. energy: -0.184
local terms energy: -625.864278
where:
bonds (distance) C4'-P energy: -108.636
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -137.785
flat angles P-C4'-P energy: -91.267
tors. eta vs tors. theta energy: -168.200
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: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1860.331658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.331658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.331658 (E_RNA)
where:
Base-Base interactions energy: -1264.867
where: short stacking energy: -573.903
Base-Backbone interact. energy: -2.394
local terms energy: -593.070928
where:
bonds (distance) C4'-P energy: -118.626
bonds (distance) P-C4' energy: -116.495
flat angles C4'-P-C4' energy: -138.315
flat angles P-C4'-P energy: -79.354
tors. eta vs tors. theta energy: -140.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1652.874861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.874861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.874861 (E_RNA)
where:
Base-Base interactions energy: -1098.252
where: short stacking energy: -491.211
Base-Backbone interact. energy: 0.759
local terms energy: -555.381621
where:
bonds (distance) C4'-P energy: -105.173
bonds (distance) P-C4' energy: -129.663
flat angles C4'-P-C4' energy: -123.308
flat angles P-C4'-P energy: -62.948
tors. eta vs tors. theta energy: -134.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1372.701296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.701296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.701296 (E_RNA)
where:
Base-Base interactions energy: -898.498
where: short stacking energy: -418.222
Base-Backbone interact. energy: -3.486
local terms energy: -470.716470
where:
bonds (distance) C4'-P energy: -113.247
bonds (distance) P-C4' energy: -103.630
flat angles C4'-P-C4' energy: -117.548
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -71.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1231.939057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.939057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.939057 (E_RNA)
where:
Base-Base interactions energy: -740.211
where: short stacking energy: -359.558
Base-Backbone interact. energy: -4.391
local terms energy: -487.337135
where:
bonds (distance) C4'-P energy: -99.814
bonds (distance) P-C4' energy: -117.053
flat angles C4'-P-C4' energy: -109.763
flat angles P-C4'-P energy: -79.466
tors. eta vs tors. theta energy: -81.240
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -857.861793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.861793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.861793 (E_RNA)
where:
Base-Base interactions energy: -471.817
where: short stacking energy: -252.067
Base-Backbone interact. energy: -2.573
local terms energy: -383.471627
where:
bonds (distance) C4'-P energy: -94.004
bonds (distance) P-C4' energy: -116.012
flat angles C4'-P-C4' energy: -108.716
flat angles P-C4'-P energy: -58.603
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -656.479900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.479900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.479900 (E_RNA)
where:
Base-Base interactions energy: -341.158
where: short stacking energy: -219.602
Base-Backbone interact. energy: -1.785
local terms energy: -313.537111
where:
bonds (distance) C4'-P energy: -97.010
bonds (distance) P-C4' energy: -108.263
flat angles C4'-P-C4' energy: -83.443
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: 12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2277.382758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.382758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.382758 (E_RNA)
where:
Base-Base interactions energy: -1561.613
where: short stacking energy: -654.744
Base-Backbone interact. energy: -3.548
local terms energy: -712.222340
where:
bonds (distance) C4'-P energy: -134.751
bonds (distance) P-C4' energy: -135.747
flat angles C4'-P-C4' energy: -147.746
flat angles P-C4'-P energy: -103.549
tors. eta vs tors. theta energy: -190.430
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: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2181.844691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.844691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.844691 (E_RNA)
where:
Base-Base interactions energy: -1528.608
where: short stacking energy: -628.057
Base-Backbone interact. energy: -0.000
local terms energy: -653.236623
where:
bonds (distance) C4'-P energy: -133.865
bonds (distance) P-C4' energy: -116.463
flat angles C4'-P-C4' energy: -140.382
flat angles P-C4'-P energy: -95.917
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: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2137.741923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.741923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.741923 (E_RNA)
where:
Base-Base interactions energy: -1474.122
where: short stacking energy: -630.300
Base-Backbone interact. energy: 0.497
local terms energy: -664.116613
where:
bonds (distance) C4'-P energy: -122.621
bonds (distance) P-C4' energy: -124.467
flat angles C4'-P-C4' energy: -143.114
flat angles P-C4'-P energy: -99.258
tors. eta vs tors. theta energy: -174.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2034.812768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.812768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.812768 (E_RNA)
where:
Base-Base interactions energy: -1410.981
where: short stacking energy: -575.288
Base-Backbone interact. energy: -1.970
local terms energy: -621.861549
where:
bonds (distance) C4'-P energy: -123.222
bonds (distance) P-C4' energy: -114.256
flat angles C4'-P-C4' energy: -141.645
flat angles P-C4'-P energy: -91.412
tors. eta vs tors. theta energy: -151.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1828.949119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.949119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.949119 (E_RNA)
where:
Base-Base interactions energy: -1201.467
where: short stacking energy: -533.434
Base-Backbone interact. energy: 0.629
local terms energy: -628.111579
where:
bonds (distance) C4'-P energy: -119.782
bonds (distance) P-C4' energy: -117.740
flat angles C4'-P-C4' energy: -134.762
flat angles P-C4'-P energy: -93.237
tors. eta vs tors. theta energy: -162.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1722.554637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.554637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.554637 (E_RNA)
where:
Base-Base interactions energy: -1143.090
where: short stacking energy: -529.005
Base-Backbone interact. energy: -3.159
local terms energy: -576.305417
where:
bonds (distance) C4'-P energy: -111.737
bonds (distance) P-C4' energy: -105.447
flat angles C4'-P-C4' energy: -135.173
flat angles P-C4'-P energy: -83.542
tors. eta vs tors. theta energy: -140.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1410.020138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.020138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.020138 (E_RNA)
where:
Base-Base interactions energy: -893.006
where: short stacking energy: -408.727
Base-Backbone interact. energy: 0.057
local terms energy: -517.071579
where:
bonds (distance) C4'-P energy: -108.023
bonds (distance) P-C4' energy: -127.524
flat angles C4'-P-C4' energy: -108.417
flat angles P-C4'-P energy: -76.542
tors. eta vs tors. theta energy: -96.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1276.941411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.941411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.941411 (E_RNA)
where:
Base-Base interactions energy: -825.752
where: short stacking energy: -380.081
Base-Backbone interact. energy: 0.129
local terms energy: -451.318376
where:
bonds (distance) C4'-P energy: -93.302
bonds (distance) P-C4' energy: -114.273
flat angles C4'-P-C4' energy: -102.999
flat angles P-C4'-P energy: -62.252
tors. eta vs tors. theta energy: -78.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -907.335268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.335268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.335268 (E_RNA)
where:
Base-Base interactions energy: -474.374
where: short stacking energy: -243.496
Base-Backbone interact. energy: -0.615
local terms energy: -432.346123
where:
bonds (distance) C4'-P energy: -116.818
bonds (distance) P-C4' energy: -111.186
flat angles C4'-P-C4' energy: -109.673
flat angles P-C4'-P energy: -71.697
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -658.593545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.593545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.593545 (E_RNA)
where:
Base-Base interactions energy: -316.589
where: short stacking energy: -202.262
Base-Backbone interact. energy: -2.520
local terms energy: -339.484221
where:
bonds (distance) C4'-P energy: -92.401
bonds (distance) P-C4' energy: -122.105
flat angles C4'-P-C4' energy: -87.435
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: 5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2293.272785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.272785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.272785 (E_RNA)
where:
Base-Base interactions energy: -1585.597
where: short stacking energy: -669.501
Base-Backbone interact. energy: -4.576
local terms energy: -703.099805
where:
bonds (distance) C4'-P energy: -124.224
bonds (distance) P-C4' energy: -131.158
flat angles C4'-P-C4' energy: -149.959
flat angles P-C4'-P energy: -109.362
tors. eta vs tors. theta energy: -188.397
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: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2208.777166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.777166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.777166 (E_RNA)
where:
Base-Base interactions energy: -1545.643
where: short stacking energy: -625.716
Base-Backbone interact. energy: -6.558
local terms energy: -656.575625
where:
bonds (distance) C4'-P energy: -124.604
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -134.654
flat angles P-C4'-P energy: -94.211
tors. eta vs tors. theta energy: -172.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2173.935722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.935722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.935722 (E_RNA)
where:
Base-Base interactions energy: -1494.870
where: short stacking energy: -622.031
Base-Backbone interact. energy: -6.710
local terms energy: -672.356029
where:
bonds (distance) C4'-P energy: -137.102
bonds (distance) P-C4' energy: -120.412
flat angles C4'-P-C4' energy: -133.496
flat angles P-C4'-P energy: -96.372
tors. eta vs tors. theta energy: -184.973
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: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2023.662678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.662678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.662678 (E_RNA)
where:
Base-Base interactions energy: -1391.833
where: short stacking energy: -597.981
Base-Backbone interact. energy: 0.194
local terms energy: -632.023035
where:
bonds (distance) C4'-P energy: -119.009
bonds (distance) P-C4' energy: -117.450
flat angles C4'-P-C4' energy: -145.598
flat angles P-C4'-P energy: -94.962
tors. eta vs tors. theta energy: -155.004
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: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1860.196806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.196806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.196806 (E_RNA)
where:
Base-Base interactions energy: -1242.928
where: short stacking energy: -557.355
Base-Backbone interact. energy: 3.780
local terms energy: -621.048436
where:
bonds (distance) C4'-P energy: -120.199
bonds (distance) P-C4' energy: -116.694
flat angles C4'-P-C4' energy: -130.822
flat angles P-C4'-P energy: -98.855
tors. eta vs tors. theta energy: -154.479
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: 167
Temperature: 1.150000
Total energy: -1697.499264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.499264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.499264 (E_RNA)
where:
Base-Base interactions energy: -1149.804
where: short stacking energy: -522.135
Base-Backbone interact. energy: 4.283
local terms energy: -551.978075
where:
bonds (distance) C4'-P energy: -117.900
bonds (distance) P-C4' energy: -92.228
flat angles C4'-P-C4' energy: -126.023
flat angles P-C4'-P energy: -73.570
tors. eta vs tors. theta energy: -142.257
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: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1353.421558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.421558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.421558 (E_RNA)
where:
Base-Base interactions energy: -882.889
where: short stacking energy: -413.927
Base-Backbone interact. energy: 0.974
local terms energy: -471.506569
where:
bonds (distance) C4'-P energy: -102.553
bonds (distance) P-C4' energy: -102.435
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -75.409
tors. eta vs tors. theta energy: -87.918
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: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1228.603687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.603687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.603687 (E_RNA)
where:
Base-Base interactions energy: -721.512
where: short stacking energy: -339.250
Base-Backbone interact. energy: 3.018
local terms energy: -510.109974
where:
bonds (distance) C4'-P energy: -113.018
bonds (distance) P-C4' energy: -130.219
flat angles C4'-P-C4' energy: -105.119
flat angles P-C4'-P energy: -74.849
tors. eta vs tors. theta energy: -86.905
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -904.197650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.197650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.197650 (E_RNA)
where:
Base-Base interactions energy: -508.365
where: short stacking energy: -255.331
Base-Backbone interact. energy: 6.235
local terms energy: -402.066997
where:
bonds (distance) C4'-P energy: -108.108
bonds (distance) P-C4' energy: -115.695
flat angles C4'-P-C4' energy: -106.792
flat angles P-C4'-P energy: -56.260
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -637.332416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.332416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.332416 (E_RNA)
where:
Base-Base interactions energy: -276.805
where: short stacking energy: -177.021
Base-Backbone interact. energy: 2.813
local terms energy: -363.340431
where:
bonds (distance) C4'-P energy: -116.829
bonds (distance) P-C4' energy: -124.726
flat angles C4'-P-C4' energy: -95.345
flat angles P-C4'-P energy: -43.406
tors. eta vs tors. theta energy: 16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2300.209050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.209050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.209050 (E_RNA)
where:
Base-Base interactions energy: -1594.861
where: short stacking energy: -649.027
Base-Backbone interact. energy: -2.944
local terms energy: -702.404595
where:
bonds (distance) C4'-P energy: -139.961
bonds (distance) P-C4' energy: -132.961
flat angles C4'-P-C4' energy: -155.465
flat angles P-C4'-P energy: -93.095
tors. eta vs tors. theta energy: -180.922
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: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2217.374352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.374352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.374352 (E_RNA)
where:
Base-Base interactions energy: -1555.883
where: short stacking energy: -636.937
Base-Backbone interact. energy: -3.472
local terms energy: -658.019657
where:
bonds (distance) C4'-P energy: -122.652
bonds (distance) P-C4' energy: -121.787
flat angles C4'-P-C4' energy: -156.162
flat angles P-C4'-P energy: -90.564
tors. eta vs tors. theta energy: -166.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2160.340018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.340018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.340018 (E_RNA)
where:
Base-Base interactions energy: -1501.378
where: short stacking energy: -628.765
Base-Backbone interact. energy: 1.594
local terms energy: -660.555284
where:
bonds (distance) C4'-P energy: -131.408
bonds (distance) P-C4' energy: -116.152
flat angles C4'-P-C4' energy: -138.543
flat angles P-C4'-P energy: -94.396
tors. eta vs tors. theta energy: -180.057
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: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2011.399057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.399057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.399057 (E_RNA)
where:
Base-Base interactions energy: -1362.165
where: short stacking energy: -574.849
Base-Backbone interact. energy: -2.830
local terms energy: -646.403957
where:
bonds (distance) C4'-P energy: -128.262
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -135.937
flat angles P-C4'-P energy: -104.153
tors. eta vs tors. theta energy: -165.574
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: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1850.563019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.563019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.563019 (E_RNA)
where:
Base-Base interactions energy: -1285.454
where: short stacking energy: -593.981
Base-Backbone interact. energy: -0.595
local terms energy: -564.514610
where:
bonds (distance) C4'-P energy: -91.475
bonds (distance) P-C4' energy: -112.171
flat angles C4'-P-C4' energy: -122.790
flat angles P-C4'-P energy: -71.264
tors. eta vs tors. theta energy: -166.815
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: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1743.012194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.012194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.012194 (E_RNA)
where:
Base-Base interactions energy: -1138.080
where: short stacking energy: -511.274
Base-Backbone interact. energy: -2.645
local terms energy: -602.287429
where:
bonds (distance) C4'-P energy: -112.761
bonds (distance) P-C4' energy: -122.069
flat angles C4'-P-C4' energy: -131.498
flat angles P-C4'-P energy: -91.000
tors. eta vs tors. theta energy: -144.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1363.827143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.827143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.827143 (E_RNA)
where:
Base-Base interactions energy: -834.833
where: short stacking energy: -391.202
Base-Backbone interact. energy: 0.449
local terms energy: -529.443884
where:
bonds (distance) C4'-P energy: -129.646
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -145.021
flat angles P-C4'-P energy: -65.865
tors. eta vs tors. theta energy: -81.798
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: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1276.236483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.236483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.236483 (E_RNA)
where:
Base-Base interactions energy: -831.291
where: short stacking energy: -390.289
Base-Backbone interact. energy: -2.302
local terms energy: -442.643409
where:
bonds (distance) C4'-P energy: -96.054
bonds (distance) P-C4' energy: -111.123
flat angles C4'-P-C4' energy: -112.215
flat angles P-C4'-P energy: -61.597
tors. eta vs tors. theta energy: -61.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -902.105288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.105288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.105288 (E_RNA)
where:
Base-Base interactions energy: -492.658
where: short stacking energy: -263.013
Base-Backbone interact. energy: -2.095
local terms energy: -407.352315
where:
bonds (distance) C4'-P energy: -105.530
bonds (distance) P-C4' energy: -99.551
flat angles C4'-P-C4' energy: -112.091
flat angles P-C4'-P energy: -55.064
tors. eta vs tors. theta energy: -35.116
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: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -638.927243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.927243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.927243 (E_RNA)
where:
Base-Base interactions energy: -296.513
where: short stacking energy: -175.539
Base-Backbone interact. energy: 1.422
local terms energy: -343.835915
where:
bonds (distance) C4'-P energy: -101.081
bonds (distance) P-C4' energy: -112.577
flat angles C4'-P-C4' energy: -98.835
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: 18.759
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: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2315.745426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.745426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.745426 (E_RNA)
where:
Base-Base interactions energy: -1618.679
where: short stacking energy: -687.150
Base-Backbone interact. energy: -1.363
local terms energy: -695.703085
where:
bonds (distance) C4'-P energy: -126.817
bonds (distance) P-C4' energy: -118.565
flat angles C4'-P-C4' energy: -150.161
flat angles P-C4'-P energy: -102.838
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: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2250.885929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.885929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.885929 (E_RNA)
where:
Base-Base interactions energy: -1584.632
where: short stacking energy: -627.969
Base-Backbone interact. energy: -4.872
local terms energy: -661.382345
where:
bonds (distance) C4'-P energy: -134.646
bonds (distance) P-C4' energy: -122.688
flat angles C4'-P-C4' energy: -147.488
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -172.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2124.472177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.472177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.472177 (E_RNA)
where:
Base-Base interactions energy: -1457.844
where: short stacking energy: -614.013
Base-Backbone interact. energy: -0.817
local terms energy: -665.811414
where:
bonds (distance) C4'-P energy: -120.493
bonds (distance) P-C4' energy: -131.612
flat angles C4'-P-C4' energy: -153.935
flat angles P-C4'-P energy: -93.787
tors. eta vs tors. theta energy: -165.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2033.211471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.211471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.211471 (E_RNA)
where:
Base-Base interactions energy: -1400.235
where: short stacking energy: -586.164
Base-Backbone interact. energy: -3.252
local terms energy: -629.723844
where:
bonds (distance) C4'-P energy: -103.016
bonds (distance) P-C4' energy: -128.007
flat angles C4'-P-C4' energy: -137.759
flat angles P-C4'-P energy: -94.111
tors. eta vs tors. theta energy: -166.831
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: 169
Temperature: 1.100000
Total energy: -1826.560325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.560325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.560325 (E_RNA)
where:
Base-Base interactions energy: -1224.071
where: short stacking energy: -532.511
Base-Backbone interact. energy: -1.878
local terms energy: -600.610991
where:
bonds (distance) C4'-P energy: -122.946
bonds (distance) P-C4' energy: -130.683
flat angles C4'-P-C4' energy: -132.306
flat angles P-C4'-P energy: -70.550
tors. eta vs tors. theta energy: -144.127
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1697.998742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.998742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.998742 (E_RNA)
where:
Base-Base interactions energy: -1099.498
where: short stacking energy: -489.655
Base-Backbone interact. energy: -2.208
local terms energy: -596.292048
where:
bonds (distance) C4'-P energy: -131.599
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -137.045
flat angles P-C4'-P energy: -75.562
tors. eta vs tors. theta energy: -137.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1318.167274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.167274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.167274 (E_RNA)
where:
Base-Base interactions energy: -805.443
where: short stacking energy: -395.848
Base-Backbone interact. energy: 4.284
local terms energy: -517.008120
where:
bonds (distance) C4'-P energy: -108.812
bonds (distance) P-C4' energy: -118.961
flat angles C4'-P-C4' energy: -123.714
flat angles P-C4'-P energy: -81.607
tors. eta vs tors. theta energy: -83.914
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: 169
Temperature: 1.250000
Total energy: -1301.082532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.082532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.082532 (E_RNA)
where:
Base-Base interactions energy: -834.374
where: short stacking energy: -390.911
Base-Backbone interact. energy: 0.598
local terms energy: -467.307014
where:
bonds (distance) C4'-P energy: -114.272
bonds (distance) P-C4' energy: -109.187
flat angles C4'-P-C4' energy: -117.718
flat angles P-C4'-P energy: -51.861
tors. eta vs tors. theta energy: -74.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -890.775309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.775309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.775309 (E_RNA)
where:
Base-Base interactions energy: -502.838
where: short stacking energy: -260.875
Base-Backbone interact. energy: -3.125
local terms energy: -384.812135
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -122.720
flat angles C4'-P-C4' energy: -85.493
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -664.530538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.530538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.530538 (E_RNA)
where:
Base-Base interactions energy: -305.196
where: short stacking energy: -207.555
Base-Backbone interact. energy: -2.475
local terms energy: -356.859604
where:
bonds (distance) C4'-P energy: -117.383
bonds (distance) P-C4' energy: -98.536
flat angles C4'-P-C4' energy: -76.926
flat angles P-C4'-P energy: -55.955
tors. eta vs tors. theta energy: -8.059
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: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2286.764286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.764286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.764286 (E_RNA)
where:
Base-Base interactions energy: -1580.917
where: short stacking energy: -661.702
Base-Backbone interact. energy: -1.695
local terms energy: -704.152353
where:
bonds (distance) C4'-P energy: -122.679
bonds (distance) P-C4' energy: -132.788
flat angles C4'-P-C4' energy: -164.845
flat angles P-C4'-P energy: -99.367
tors. eta vs tors. theta energy: -184.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2215.834135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.834135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.834135 (E_RNA)
where:
Base-Base interactions energy: -1566.524
where: short stacking energy: -628.994
Base-Backbone interact. energy: -2.741
local terms energy: -646.569159
where:
bonds (distance) C4'-P energy: -121.937
bonds (distance) P-C4' energy: -135.168
flat angles C4'-P-C4' energy: -129.332
flat angles P-C4'-P energy: -91.592
tors. eta vs tors. theta energy: -168.541
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: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2137.576210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.576210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.576210 (E_RNA)
where:
Base-Base interactions energy: -1514.541
where: short stacking energy: -649.660
Base-Backbone interact. energy: -2.059
local terms energy: -620.976289
where:
bonds (distance) C4'-P energy: -108.287
bonds (distance) P-C4' energy: -111.006
flat angles C4'-P-C4' energy: -130.302
flat angles P-C4'-P energy: -88.373
tors. eta vs tors. theta energy: -183.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2046.947770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.947770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.947770 (E_RNA)
where:
Base-Base interactions energy: -1414.459
where: short stacking energy: -599.345
Base-Backbone interact. energy: -2.328
local terms energy: -630.160114
where:
bonds (distance) C4'-P energy: -110.579
bonds (distance) P-C4' energy: -114.845
flat angles C4'-P-C4' energy: -138.102
flat angles P-C4'-P energy: -101.020
tors. eta vs tors. theta energy: -165.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1826.466337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.466337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.466337 (E_RNA)
where:
Base-Base interactions energy: -1175.610
where: short stacking energy: -529.638
Base-Backbone interact. energy: -0.230
local terms energy: -650.626745
where:
bonds (distance) C4'-P energy: -129.324
bonds (distance) P-C4' energy: -135.165
flat angles C4'-P-C4' energy: -133.753
flat angles P-C4'-P energy: -99.072
tors. eta vs tors. theta energy: -153.314
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: 170
Temperature: 1.150000
Total energy: -1619.921243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.921243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.921243 (E_RNA)
where:
Base-Base interactions energy: -1061.986
where: short stacking energy: -479.076
Base-Backbone interact. energy: 0.084
local terms energy: -558.018772
where:
bonds (distance) C4'-P energy: -98.929
bonds (distance) P-C4' energy: -133.177
flat angles C4'-P-C4' energy: -125.716
flat angles P-C4'-P energy: -85.098
tors. eta vs tors. theta energy: -115.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1363.125271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.125271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.125271 (E_RNA)
where:
Base-Base interactions energy: -845.745
where: short stacking energy: -402.362
Base-Backbone interact. energy: 2.187
local terms energy: -519.566848
where:
bonds (distance) C4'-P energy: -90.382
bonds (distance) P-C4' energy: -135.884
flat angles C4'-P-C4' energy: -136.722
flat angles P-C4'-P energy: -69.422
tors. eta vs tors. theta energy: -87.157
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: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1207.928146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.928146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.928146 (E_RNA)
where:
Base-Base interactions energy: -732.085
where: short stacking energy: -357.027
Base-Backbone interact. energy: -1.680
local terms energy: -474.162966
where:
bonds (distance) C4'-P energy: -107.995
bonds (distance) P-C4' energy: -114.589
flat angles C4'-P-C4' energy: -100.981
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -77.896
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -886.976441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.976441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.976441 (E_RNA)
where:
Base-Base interactions energy: -474.652
where: short stacking energy: -244.504
Base-Backbone interact. energy: -0.513
local terms energy: -411.811128
where:
bonds (distance) C4'-P energy: -103.995
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -99.481
flat angles P-C4'-P energy: -58.208
tors. eta vs tors. theta energy: -31.303
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: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -665.084038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.084038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.084038 (E_RNA)
where:
Base-Base interactions energy: -301.515
where: short stacking energy: -188.961
Base-Backbone interact. energy: 5.433
local terms energy: -369.001594
where:
bonds (distance) C4'-P energy: -83.807
bonds (distance) P-C4' energy: -114.615
flat angles C4'-P-C4' energy: -109.028
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2302.991202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.991202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.991202 (E_RNA)
where:
Base-Base interactions energy: -1583.514
where: short stacking energy: -649.182
Base-Backbone interact. energy: -5.962
local terms energy: -713.515336
where:
bonds (distance) C4'-P energy: -139.255
bonds (distance) P-C4' energy: -138.407
flat angles C4'-P-C4' energy: -156.406
flat angles P-C4'-P energy: -94.715
tors. eta vs tors. theta energy: -184.733
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: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2186.488120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.488120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.488120 (E_RNA)
where:
Base-Base interactions energy: -1533.312
where: short stacking energy: -631.269
Base-Backbone interact. energy: -5.691
local terms energy: -647.485523
where:
bonds (distance) C4'-P energy: -117.554
bonds (distance) P-C4' energy: -123.996
flat angles C4'-P-C4' energy: -144.690
flat angles P-C4'-P energy: -96.714
tors. eta vs tors. theta energy: -164.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2154.145340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.145340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.145340 (E_RNA)
where:
Base-Base interactions energy: -1507.946
where: short stacking energy: -627.597
Base-Backbone interact. energy: 3.958
local terms energy: -650.157356
where:
bonds (distance) C4'-P energy: -112.825
bonds (distance) P-C4' energy: -120.230
flat angles C4'-P-C4' energy: -157.514
flat angles P-C4'-P energy: -84.333
tors. eta vs tors. theta energy: -175.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2061.901396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.901396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.901396 (E_RNA)
where:
Base-Base interactions energy: -1432.139
where: short stacking energy: -594.538
Base-Backbone interact. energy: 0.365
local terms energy: -630.127819
where:
bonds (distance) C4'-P energy: -116.694
bonds (distance) P-C4' energy: -110.150
flat angles C4'-P-C4' energy: -135.300
flat angles P-C4'-P energy: -98.633
tors. eta vs tors. theta energy: -169.351
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: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1846.255700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.255700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.255700 (E_RNA)
where:
Base-Base interactions energy: -1230.043
where: short stacking energy: -586.627
Base-Backbone interact. energy: -2.715
local terms energy: -613.498010
where:
bonds (distance) C4'-P energy: -113.173
bonds (distance) P-C4' energy: -121.074
flat angles C4'-P-C4' energy: -128.801
flat angles P-C4'-P energy: -85.494
tors. eta vs tors. theta energy: -164.956
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: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1646.651647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.651647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.651647 (E_RNA)
where:
Base-Base interactions energy: -1099.023
where: short stacking energy: -483.430
Base-Backbone interact. energy: 4.044
local terms energy: -551.673030
where:
bonds (distance) C4'-P energy: -123.853
bonds (distance) P-C4' energy: -99.396
flat angles C4'-P-C4' energy: -125.254
flat angles P-C4'-P energy: -67.186
tors. eta vs tors. theta energy: -135.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1364.416228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.416228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.416228 (E_RNA)
where:
Base-Base interactions energy: -850.588
where: short stacking energy: -403.129
Base-Backbone interact. energy: -2.759
local terms energy: -511.069660
where:
bonds (distance) C4'-P energy: -114.994
bonds (distance) P-C4' energy: -119.190
flat angles C4'-P-C4' energy: -108.346
flat angles P-C4'-P energy: -74.116
tors. eta vs tors. theta energy: -94.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1280.318573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.318573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.318573 (E_RNA)
where:
Base-Base interactions energy: -792.745
where: short stacking energy: -380.977
Base-Backbone interact. energy: 0.676
local terms energy: -488.249425
where:
bonds (distance) C4'-P energy: -107.833
bonds (distance) P-C4' energy: -97.854
flat angles C4'-P-C4' energy: -121.014
flat angles P-C4'-P energy: -79.377
tors. eta vs tors. theta energy: -82.171
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: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -863.948552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.948552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.948552 (E_RNA)
where:
Base-Base interactions energy: -497.291
where: short stacking energy: -246.567
Base-Backbone interact. energy: -2.004
local terms energy: -364.653561
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -107.733
flat angles C4'-P-C4' energy: -95.410
flat angles P-C4'-P energy: -51.297
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -624.561005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.561005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.561005 (E_RNA)
where:
Base-Base interactions energy: -281.011
where: short stacking energy: -173.018
Base-Backbone interact. energy: -1.669
local terms energy: -341.881420
where:
bonds (distance) C4'-P energy: -105.355
bonds (distance) P-C4' energy: -99.016
flat angles C4'-P-C4' energy: -87.582
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2325.891619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.891619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.891619 (E_RNA)
where:
Base-Base interactions energy: -1608.682
where: short stacking energy: -676.749
Base-Backbone interact. energy: -2.481
local terms energy: -714.728872
where:
bonds (distance) C4'-P energy: -132.049
bonds (distance) P-C4' energy: -139.003
flat angles C4'-P-C4' energy: -149.774
flat angles P-C4'-P energy: -101.053
tors. eta vs tors. theta energy: -192.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2153.123545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.123545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.123545 (E_RNA)
where:
Base-Base interactions energy: -1506.635
where: short stacking energy: -629.421
Base-Backbone interact. energy: -1.848
local terms energy: -644.640996
where:
bonds (distance) C4'-P energy: -129.371
bonds (distance) P-C4' energy: -120.883
flat angles C4'-P-C4' energy: -139.871
flat angles P-C4'-P energy: -90.353
tors. eta vs tors. theta energy: -164.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2137.531230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.531230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.531230 (E_RNA)
where:
Base-Base interactions energy: -1514.111
where: short stacking energy: -591.912
Base-Backbone interact. energy: -2.815
local terms energy: -620.605627
where:
bonds (distance) C4'-P energy: -123.515
bonds (distance) P-C4' energy: -122.434
flat angles C4'-P-C4' energy: -137.002
flat angles P-C4'-P energy: -79.767
tors. eta vs tors. theta energy: -157.888
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: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2040.025635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.025635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.025635 (E_RNA)
where:
Base-Base interactions energy: -1445.077
where: short stacking energy: -591.048
Base-Backbone interact. energy: 1.485
local terms energy: -596.433855
where:
bonds (distance) C4'-P energy: -99.888
bonds (distance) P-C4' energy: -113.244
flat angles C4'-P-C4' energy: -136.619
flat angles P-C4'-P energy: -87.372
tors. eta vs tors. theta energy: -159.310
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: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1820.259798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.259798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.259798 (E_RNA)
where:
Base-Base interactions energy: -1242.027
where: short stacking energy: -531.879
Base-Backbone interact. energy: -3.227
local terms energy: -575.006077
where:
bonds (distance) C4'-P energy: -122.813
bonds (distance) P-C4' energy: -114.175
flat angles C4'-P-C4' energy: -132.066
flat angles P-C4'-P energy: -68.922
tors. eta vs tors. theta energy: -137.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1672.482628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.482628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.482628 (E_RNA)
where:
Base-Base interactions energy: -1094.284
where: short stacking energy: -466.080
Base-Backbone interact. energy: -1.147
local terms energy: -577.051346
where:
bonds (distance) C4'-P energy: -111.984
bonds (distance) P-C4' energy: -131.714
flat angles C4'-P-C4' energy: -135.669
flat angles P-C4'-P energy: -73.704
tors. eta vs tors. theta energy: -123.981
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: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1365.199763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.199763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.199763 (E_RNA)
where:
Base-Base interactions energy: -872.461
where: short stacking energy: -449.639
Base-Backbone interact. energy: 6.136
local terms energy: -498.874531
where:
bonds (distance) C4'-P energy: -108.363
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -97.242
flat angles P-C4'-P energy: -77.523
tors. eta vs tors. theta energy: -102.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1249.024215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.024215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.024215 (E_RNA)
where:
Base-Base interactions energy: -781.414
where: short stacking energy: -368.713
Base-Backbone interact. energy: -3.672
local terms energy: -463.938603
where:
bonds (distance) C4'-P energy: -104.176
bonds (distance) P-C4' energy: -114.622
flat angles C4'-P-C4' energy: -111.848
flat angles P-C4'-P energy: -66.945
tors. eta vs tors. theta energy: -66.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -899.527506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.527506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.527506 (E_RNA)
where:
Base-Base interactions energy: -479.793
where: short stacking energy: -250.538
Base-Backbone interact. energy: -1.029
local terms energy: -418.705547
where:
bonds (distance) C4'-P energy: -108.879
bonds (distance) P-C4' energy: -109.335
flat angles C4'-P-C4' energy: -107.123
flat angles P-C4'-P energy: -59.221
tors. eta vs tors. theta energy: -34.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -632.805905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.805905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.805905 (E_RNA)
where:
Base-Base interactions energy: -289.927
where: short stacking energy: -173.670
Base-Backbone interact. energy: 4.545
local terms energy: -347.424231
where:
bonds (distance) C4'-P energy: -99.551
bonds (distance) P-C4' energy: -108.703
flat angles C4'-P-C4' energy: -84.933
flat angles P-C4'-P energy: -56.175
tors. eta vs tors. theta energy: 1.938
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: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2310.158683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.158683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.158683 (E_RNA)
where:
Base-Base interactions energy: -1597.721
where: short stacking energy: -666.066
Base-Backbone interact. energy: -1.815
local terms energy: -710.623109
where:
bonds (distance) C4'-P energy: -121.942
bonds (distance) P-C4' energy: -136.385
flat angles C4'-P-C4' energy: -160.286
flat angles P-C4'-P energy: -100.188
tors. eta vs tors. theta energy: -191.823
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: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2173.326454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.326454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.326454 (E_RNA)
where:
Base-Base interactions energy: -1518.105
where: short stacking energy: -615.783
Base-Backbone interact. energy: -4.403
local terms energy: -650.817929
where:
bonds (distance) C4'-P energy: -124.700
bonds (distance) P-C4' energy: -123.186
flat angles C4'-P-C4' energy: -140.795
flat angles P-C4'-P energy: -98.427
tors. eta vs tors. theta energy: -163.710
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: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2144.950841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.950841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.950841 (E_RNA)
where:
Base-Base interactions energy: -1512.108
where: short stacking energy: -618.941
Base-Backbone interact. energy: -3.686
local terms energy: -629.157198
where:
bonds (distance) C4'-P energy: -115.221
bonds (distance) P-C4' energy: -116.047
flat angles C4'-P-C4' energy: -140.852
flat angles P-C4'-P energy: -96.641
tors. eta vs tors. theta energy: -160.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2013.235023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.235023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.235023 (E_RNA)
where:
Base-Base interactions energy: -1389.865
where: short stacking energy: -559.055
Base-Backbone interact. energy: -3.467
local terms energy: -619.903350
where:
bonds (distance) C4'-P energy: -122.707
bonds (distance) P-C4' energy: -122.917
flat angles C4'-P-C4' energy: -131.459
flat angles P-C4'-P energy: -96.095
tors. eta vs tors. theta energy: -146.726
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: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1881.714545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.714545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.714545 (E_RNA)
where:
Base-Base interactions energy: -1268.292
where: short stacking energy: -561.816
Base-Backbone interact. energy: -1.219
local terms energy: -612.203446
where:
bonds (distance) C4'-P energy: -120.767
bonds (distance) P-C4' energy: -123.032
flat angles C4'-P-C4' energy: -136.657
flat angles P-C4'-P energy: -85.636
tors. eta vs tors. theta energy: -146.112
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: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1632.083582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.083582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.083582 (E_RNA)
where:
Base-Base interactions energy: -1075.197
where: short stacking energy: -480.775
Base-Backbone interact. energy: -0.173
local terms energy: -556.713358
where:
bonds (distance) C4'-P energy: -119.799
bonds (distance) P-C4' energy: -114.836
flat angles C4'-P-C4' energy: -119.389
flat angles P-C4'-P energy: -81.375
tors. eta vs tors. theta energy: -121.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1423.336177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.336177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.336177 (E_RNA)
where:
Base-Base interactions energy: -908.470
where: short stacking energy: -423.474
Base-Backbone interact. energy: 0.286
local terms energy: -515.152466
where:
bonds (distance) C4'-P energy: -118.446
bonds (distance) P-C4' energy: -100.199
flat angles C4'-P-C4' energy: -112.274
flat angles P-C4'-P energy: -81.423
tors. eta vs tors. theta energy: -102.809
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1267.206782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.206782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.206782 (E_RNA)
where:
Base-Base interactions energy: -804.929
where: short stacking energy: -348.693
Base-Backbone interact. energy: 1.522
local terms energy: -463.799587
where:
bonds (distance) C4'-P energy: -111.487
bonds (distance) P-C4' energy: -115.380
flat angles C4'-P-C4' energy: -108.210
flat angles P-C4'-P energy: -70.970
tors. eta vs tors. theta energy: -57.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -861.311866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.311866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.311866 (E_RNA)
where:
Base-Base interactions energy: -498.854
where: short stacking energy: -260.282
Base-Backbone interact. energy: 0.856
local terms energy: -363.314762
where:
bonds (distance) C4'-P energy: -89.482
bonds (distance) P-C4' energy: -118.282
flat angles C4'-P-C4' energy: -88.984
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -618.016731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.016731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.016731 (E_RNA)
where:
Base-Base interactions energy: -257.957
where: short stacking energy: -133.747
Base-Backbone interact. energy: -0.098
local terms energy: -359.961798
where:
bonds (distance) C4'-P energy: -121.837
bonds (distance) P-C4' energy: -101.474
flat angles C4'-P-C4' energy: -95.429
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: 22.268
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: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2330.441346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.441346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.441346 (E_RNA)
where:
Base-Base interactions energy: -1599.795
where: short stacking energy: -659.360
Base-Backbone interact. energy: -3.974
local terms energy: -726.672783
where:
bonds (distance) C4'-P energy: -144.201
bonds (distance) P-C4' energy: -134.997
flat angles C4'-P-C4' energy: -158.385
flat angles P-C4'-P energy: -92.521
tors. eta vs tors. theta energy: -196.568
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: 174
Temperature: 0.950000
Total energy: -2216.198182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.198182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.198182 (E_RNA)
where:
Base-Base interactions energy: -1530.926
where: short stacking energy: -630.380
Base-Backbone interact. energy: -2.163
local terms energy: -683.109688
where:
bonds (distance) C4'-P energy: -127.911
bonds (distance) P-C4' energy: -126.195
flat angles C4'-P-C4' energy: -151.423
flat angles P-C4'-P energy: -97.649
tors. eta vs tors. theta energy: -179.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2131.883408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.883408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.883408 (E_RNA)
where:
Base-Base interactions energy: -1483.352
where: short stacking energy: -622.013
Base-Backbone interact. energy: -5.659
local terms energy: -642.872933
where:
bonds (distance) C4'-P energy: -134.147
bonds (distance) P-C4' energy: -126.284
flat angles C4'-P-C4' energy: -135.181
flat angles P-C4'-P energy: -84.647
tors. eta vs tors. theta energy: -162.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2009.729561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.729561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.729561 (E_RNA)
where:
Base-Base interactions energy: -1395.810
where: short stacking energy: -587.914
Base-Backbone interact. energy: -5.140
local terms energy: -608.779969
where:
bonds (distance) C4'-P energy: -119.418
bonds (distance) P-C4' energy: -100.931
flat angles C4'-P-C4' energy: -143.909
flat angles P-C4'-P energy: -82.484
tors. eta vs tors. theta energy: -162.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1860.712455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.712455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.712455 (E_RNA)
where:
Base-Base interactions energy: -1249.765
where: short stacking energy: -556.411
Base-Backbone interact. energy: -3.997
local terms energy: -606.950425
where:
bonds (distance) C4'-P energy: -109.689
bonds (distance) P-C4' energy: -124.437
flat angles C4'-P-C4' energy: -144.550
flat angles P-C4'-P energy: -73.621
tors. eta vs tors. theta energy: -154.654
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: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1683.643475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.643475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.643475 (E_RNA)
where:
Base-Base interactions energy: -1131.512
where: short stacking energy: -493.386
Base-Backbone interact. energy: -1.237
local terms energy: -550.894040
where:
bonds (distance) C4'-P energy: -108.497
bonds (distance) P-C4' energy: -109.328
flat angles C4'-P-C4' energy: -129.631
flat angles P-C4'-P energy: -78.559
tors. eta vs tors. theta energy: -124.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1446.456648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.456648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.456648 (E_RNA)
where:
Base-Base interactions energy: -911.571
where: short stacking energy: -437.295
Base-Backbone interact. energy: -2.732
local terms energy: -532.154457
where:
bonds (distance) C4'-P energy: -125.201
bonds (distance) P-C4' energy: -122.414
flat angles C4'-P-C4' energy: -119.537
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -103.690
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: 174
Temperature: 1.250000
Total energy: -1244.637360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.637360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.637360 (E_RNA)
where:
Base-Base interactions energy: -782.745
where: short stacking energy: -365.259
Base-Backbone interact. energy: -0.698
local terms energy: -461.194799
where:
bonds (distance) C4'-P energy: -105.408
bonds (distance) P-C4' energy: -104.053
flat angles C4'-P-C4' energy: -110.192
flat angles P-C4'-P energy: -78.253
tors. eta vs tors. theta energy: -63.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -870.138505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.138505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.138505 (E_RNA)
where:
Base-Base interactions energy: -489.129
where: short stacking energy: -283.990
Base-Backbone interact. energy: -2.039
local terms energy: -378.970197
where:
bonds (distance) C4'-P energy: -97.245
bonds (distance) P-C4' energy: -113.901
flat angles C4'-P-C4' energy: -93.433
flat angles P-C4'-P energy: -50.930
tors. eta vs tors. theta energy: -23.461
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: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -639.642127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.642127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.642127 (E_RNA)
where:
Base-Base interactions energy: -273.061
where: short stacking energy: -156.296
Base-Backbone interact. energy: -1.799
local terms energy: -364.781845
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -121.567
flat angles C4'-P-C4' energy: -109.877
flat angles P-C4'-P energy: -55.718
tors. eta vs tors. theta energy: 32.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2303.934210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.934210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.934210 (E_RNA)
where:
Base-Base interactions energy: -1596.280
where: short stacking energy: -678.751
Base-Backbone interact. energy: 0.308
local terms energy: -707.962340
where:
bonds (distance) C4'-P energy: -133.024
bonds (distance) P-C4' energy: -136.437
flat angles C4'-P-C4' energy: -148.194
flat angles P-C4'-P energy: -97.519
tors. eta vs tors. theta energy: -192.789
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: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2204.411383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.411383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.411383 (E_RNA)
where:
Base-Base interactions energy: -1542.150
where: short stacking energy: -646.283
Base-Backbone interact. energy: 3.858
local terms energy: -666.119344
where:
bonds (distance) C4'-P energy: -126.227
bonds (distance) P-C4' energy: -125.297
flat angles C4'-P-C4' energy: -149.272
flat angles P-C4'-P energy: -91.077
tors. eta vs tors. theta energy: -174.245
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: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2167.809830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.809830 (E_RNA)
where:
Base-Base interactions energy: -1500.010
where: short stacking energy: -624.627
Base-Backbone interact. energy: -3.561
local terms energy: -664.238862
where:
bonds (distance) C4'-P energy: -121.966
bonds (distance) P-C4' energy: -134.497
flat angles C4'-P-C4' energy: -135.269
flat angles P-C4'-P energy: -98.605
tors. eta vs tors. theta energy: -173.902
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: 175
Temperature: 1.050000
Total energy: -2006.008892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.008892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.008892 (E_RNA)
where:
Base-Base interactions energy: -1390.035
where: short stacking energy: -570.097
Base-Backbone interact. energy: -2.035
local terms energy: -613.938693
where:
bonds (distance) C4'-P energy: -113.276
bonds (distance) P-C4' energy: -113.240
flat angles C4'-P-C4' energy: -139.722
flat angles P-C4'-P energy: -88.240
tors. eta vs tors. theta energy: -159.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1854.501405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.501405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.501405 (E_RNA)
where:
Base-Base interactions energy: -1250.300
where: short stacking energy: -571.902
Base-Backbone interact. energy: -0.893
local terms energy: -603.307857
where:
bonds (distance) C4'-P energy: -119.204
bonds (distance) P-C4' energy: -126.189
flat angles C4'-P-C4' energy: -121.095
flat angles P-C4'-P energy: -84.083
tors. eta vs tors. theta energy: -152.738
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: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1691.215512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.215512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.215512 (E_RNA)
where:
Base-Base interactions energy: -1130.623
where: short stacking energy: -512.305
Base-Backbone interact. energy: -0.013
local terms energy: -560.579170
where:
bonds (distance) C4'-P energy: -112.710
bonds (distance) P-C4' energy: -105.443
flat angles C4'-P-C4' energy: -133.489
flat angles P-C4'-P energy: -77.685
tors. eta vs tors. theta energy: -131.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1421.385946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.385946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.385946 (E_RNA)
where:
Base-Base interactions energy: -915.489
where: short stacking energy: -410.966
Base-Backbone interact. energy: -2.217
local terms energy: -503.680259
where:
bonds (distance) C4'-P energy: -92.375
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -115.116
flat angles P-C4'-P energy: -72.540
tors. eta vs tors. theta energy: -107.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1259.734817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.734817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.734817 (E_RNA)
where:
Base-Base interactions energy: -788.920
where: short stacking energy: -375.455
Base-Backbone interact. energy: -1.109
local terms energy: -469.705724
where:
bonds (distance) C4'-P energy: -91.618
bonds (distance) P-C4' energy: -101.162
flat angles C4'-P-C4' energy: -121.256
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -75.169
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -816.778580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.778580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.778580 (E_RNA)
where:
Base-Base interactions energy: -419.572
where: short stacking energy: -224.494
Base-Backbone interact. energy: -1.005
local terms energy: -396.201753
where:
bonds (distance) C4'-P energy: -122.213
bonds (distance) P-C4' energy: -104.234
flat angles C4'-P-C4' energy: -85.343
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -653.274857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.274857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.274857 (E_RNA)
where:
Base-Base interactions energy: -281.343
where: short stacking energy: -171.247
Base-Backbone interact. energy: -0.464
local terms energy: -371.468346
where:
bonds (distance) C4'-P energy: -109.419
bonds (distance) P-C4' energy: -120.088
flat angles C4'-P-C4' energy: -111.019
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: 15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2302.702861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.702861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.702861 (E_RNA)
where:
Base-Base interactions energy: -1559.309
where: short stacking energy: -671.447
Base-Backbone interact. energy: -4.019
local terms energy: -739.375274
where:
bonds (distance) C4'-P energy: -130.278
bonds (distance) P-C4' energy: -139.174
flat angles C4'-P-C4' energy: -161.702
flat angles P-C4'-P energy: -103.515
tors. eta vs tors. theta energy: -204.706
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2230.782903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.782903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.782903 (E_RNA)
where:
Base-Base interactions energy: -1553.370
where: short stacking energy: -648.602
Base-Backbone interact. energy: -1.056
local terms energy: -676.356718
where:
bonds (distance) C4'-P energy: -117.052
bonds (distance) P-C4' energy: -115.382
flat angles C4'-P-C4' energy: -144.452
flat angles P-C4'-P energy: -106.267
tors. eta vs tors. theta energy: -193.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2113.095042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.095042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.095042 (E_RNA)
where:
Base-Base interactions energy: -1483.846
where: short stacking energy: -605.767
Base-Backbone interact. energy: -6.345
local terms energy: -622.903539
where:
bonds (distance) C4'-P energy: -104.622
bonds (distance) P-C4' energy: -114.933
flat angles C4'-P-C4' energy: -140.326
flat angles P-C4'-P energy: -95.952
tors. eta vs tors. theta energy: -167.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2042.452962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.452962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.452962 (E_RNA)
where:
Base-Base interactions energy: -1406.588
where: short stacking energy: -577.247
Base-Backbone interact. energy: -3.094
local terms energy: -632.770821
where:
bonds (distance) C4'-P energy: -119.777
bonds (distance) P-C4' energy: -126.290
flat angles C4'-P-C4' energy: -132.471
flat angles P-C4'-P energy: -92.314
tors. eta vs tors. theta energy: -161.919
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: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1805.968694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.968694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.968694 (E_RNA)
where:
Base-Base interactions energy: -1218.609
where: short stacking energy: -535.762
Base-Backbone interact. energy: -3.465
local terms energy: -583.894918
where:
bonds (distance) C4'-P energy: -109.186
bonds (distance) P-C4' energy: -118.375
flat angles C4'-P-C4' energy: -127.432
flat angles P-C4'-P energy: -89.013
tors. eta vs tors. theta energy: -139.889
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: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1687.282423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.282423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.282423 (E_RNA)
where:
Base-Base interactions energy: -1117.441
where: short stacking energy: -467.468
Base-Backbone interact. energy: -2.056
local terms energy: -567.785299
where:
bonds (distance) C4'-P energy: -119.623
bonds (distance) P-C4' energy: -119.100
flat angles C4'-P-C4' energy: -135.272
flat angles P-C4'-P energy: -69.178
tors. eta vs tors. theta energy: -124.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1422.102423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.102423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.102423 (E_RNA)
where:
Base-Base interactions energy: -913.505
where: short stacking energy: -420.246
Base-Backbone interact. energy: 0.482
local terms energy: -509.079136
where:
bonds (distance) C4'-P energy: -95.195
bonds (distance) P-C4' energy: -107.261
flat angles C4'-P-C4' energy: -124.592
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -99.759
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: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1283.782414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.782414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.782414 (E_RNA)
where:
Base-Base interactions energy: -785.909
where: short stacking energy: -396.698
Base-Backbone interact. energy: 1.023
local terms energy: -498.896726
where:
bonds (distance) C4'-P energy: -113.295
bonds (distance) P-C4' energy: -121.031
flat angles C4'-P-C4' energy: -129.733
flat angles P-C4'-P energy: -63.778
tors. eta vs tors. theta energy: -71.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -862.266768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.266768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.266768 (E_RNA)
where:
Base-Base interactions energy: -436.184
where: short stacking energy: -237.919
Base-Backbone interact. energy: -0.542
local terms energy: -425.540141
where:
bonds (distance) C4'-P energy: -118.977
bonds (distance) P-C4' energy: -116.359
flat angles C4'-P-C4' energy: -117.507
flat angles P-C4'-P energy: -56.625
tors. eta vs tors. theta energy: -16.072
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: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -616.722425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.722425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.722425 (E_RNA)
where:
Base-Base interactions energy: -264.220
where: short stacking energy: -169.674
Base-Backbone interact. energy: 6.446
local terms energy: -358.948087
where:
bonds (distance) C4'-P energy: -98.551
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -87.446
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: 15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2317.001486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.001486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.001486 (E_RNA)
where:
Base-Base interactions energy: -1596.934
where: short stacking energy: -688.220
Base-Backbone interact. energy: 2.998
local terms energy: -723.066006
where:
bonds (distance) C4'-P energy: -127.962
bonds (distance) P-C4' energy: -132.736
flat angles C4'-P-C4' energy: -152.990
flat angles P-C4'-P energy: -106.755
tors. eta vs tors. theta energy: -202.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2236.655879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.655879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.655879 (E_RNA)
where:
Base-Base interactions energy: -1539.004
where: short stacking energy: -629.760
Base-Backbone interact. energy: -3.015
local terms energy: -694.636469
where:
bonds (distance) C4'-P energy: -129.994
bonds (distance) P-C4' energy: -129.798
flat angles C4'-P-C4' energy: -137.229
flat angles P-C4'-P energy: -105.495
tors. eta vs tors. theta energy: -192.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2114.162132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.162132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.162132 (E_RNA)
where:
Base-Base interactions energy: -1488.575
where: short stacking energy: -617.235
Base-Backbone interact. energy: -6.898
local terms energy: -618.688891
where:
bonds (distance) C4'-P energy: -121.516
bonds (distance) P-C4' energy: -130.187
flat angles C4'-P-C4' energy: -141.190
flat angles P-C4'-P energy: -73.749
tors. eta vs tors. theta energy: -152.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2052.989444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.989444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.989444 (E_RNA)
where:
Base-Base interactions energy: -1403.221
where: short stacking energy: -614.580
Base-Backbone interact. energy: 0.483
local terms energy: -650.252077
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -124.321
flat angles C4'-P-C4' energy: -150.478
flat angles P-C4'-P energy: -90.788
tors. eta vs tors. theta energy: -173.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1834.812019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.812019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.812019 (E_RNA)
where:
Base-Base interactions energy: -1251.793
where: short stacking energy: -525.386
Base-Backbone interact. energy: 3.971
local terms energy: -586.989758
where:
bonds (distance) C4'-P energy: -113.891
bonds (distance) P-C4' energy: -104.598
flat angles C4'-P-C4' energy: -142.090
flat angles P-C4'-P energy: -84.398
tors. eta vs tors. theta energy: -142.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1699.459236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.459236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.459236 (E_RNA)
where:
Base-Base interactions energy: -1117.946
where: short stacking energy: -503.598
Base-Backbone interact. energy: -0.191
local terms energy: -581.322284
where:
bonds (distance) C4'-P energy: -117.323
bonds (distance) P-C4' energy: -127.515
flat angles C4'-P-C4' energy: -131.549
flat angles P-C4'-P energy: -74.483
tors. eta vs tors. theta energy: -130.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1404.329289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.329289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.329289 (E_RNA)
where:
Base-Base interactions energy: -863.945
where: short stacking energy: -397.914
Base-Backbone interact. energy: 3.499
local terms energy: -543.883355
where:
bonds (distance) C4'-P energy: -125.487
bonds (distance) P-C4' energy: -135.992
flat angles C4'-P-C4' energy: -126.164
flat angles P-C4'-P energy: -72.357
tors. eta vs tors. theta energy: -83.884
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: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1252.868267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.868267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.868267 (E_RNA)
where:
Base-Base interactions energy: -761.869
where: short stacking energy: -343.533
Base-Backbone interact. energy: -1.857
local terms energy: -489.141364
where:
bonds (distance) C4'-P energy: -107.420
bonds (distance) P-C4' energy: -112.362
flat angles C4'-P-C4' energy: -103.570
flat angles P-C4'-P energy: -77.443
tors. eta vs tors. theta energy: -88.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -880.060450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.060450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.060450 (E_RNA)
where:
Base-Base interactions energy: -483.402
where: short stacking energy: -263.548
Base-Backbone interact. energy: -2.940
local terms energy: -393.717732
where:
bonds (distance) C4'-P energy: -114.848
bonds (distance) P-C4' energy: -101.662
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -59.728
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -579.232727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.232727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.232727 (E_RNA)
where:
Base-Base interactions energy: -258.791
where: short stacking energy: -188.609
Base-Backbone interact. energy: 1.207
local terms energy: -321.648999
where:
bonds (distance) C4'-P energy: -107.027
bonds (distance) P-C4' energy: -100.525
flat angles C4'-P-C4' energy: -82.273
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: 10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2304.932181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.932181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.932181 (E_RNA)
where:
Base-Base interactions energy: -1585.344
where: short stacking energy: -668.038
Base-Backbone interact. energy: -1.605
local terms energy: -717.982439
where:
bonds (distance) C4'-P energy: -141.102
bonds (distance) P-C4' energy: -136.608
flat angles C4'-P-C4' energy: -154.321
flat angles P-C4'-P energy: -92.002
tors. eta vs tors. theta energy: -193.950
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: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2237.817543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.817543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.817543 (E_RNA)
where:
Base-Base interactions energy: -1542.864
where: short stacking energy: -620.860
Base-Backbone interact. energy: -0.232
local terms energy: -694.722025
where:
bonds (distance) C4'-P energy: -132.628
bonds (distance) P-C4' energy: -132.731
flat angles C4'-P-C4' energy: -150.381
flat angles P-C4'-P energy: -100.817
tors. eta vs tors. theta energy: -178.166
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: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2079.317807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.317807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.317807 (E_RNA)
where:
Base-Base interactions energy: -1461.163
where: short stacking energy: -622.286
Base-Backbone interact. energy: -4.221
local terms energy: -613.934021
where:
bonds (distance) C4'-P energy: -136.593
bonds (distance) P-C4' energy: -106.743
flat angles C4'-P-C4' energy: -128.441
flat angles P-C4'-P energy: -79.172
tors. eta vs tors. theta energy: -162.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2029.084828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.084828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.084828 (E_RNA)
where:
Base-Base interactions energy: -1389.169
where: short stacking energy: -587.008
Base-Backbone interact. energy: 2.109
local terms energy: -642.024813
where:
bonds (distance) C4'-P energy: -128.811
bonds (distance) P-C4' energy: -127.239
flat angles C4'-P-C4' energy: -144.061
flat angles P-C4'-P energy: -90.825
tors. eta vs tors. theta energy: -151.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1803.519673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.519673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.519673 (E_RNA)
where:
Base-Base interactions energy: -1211.346
where: short stacking energy: -539.554
Base-Backbone interact. energy: -1.952
local terms energy: -590.221748
where:
bonds (distance) C4'-P energy: -121.939
bonds (distance) P-C4' energy: -111.489
flat angles C4'-P-C4' energy: -131.119
flat angles P-C4'-P energy: -87.055
tors. eta vs tors. theta energy: -138.620
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: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1707.733711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.733711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.733711 (E_RNA)
where:
Base-Base interactions energy: -1122.773
where: short stacking energy: -495.834
Base-Backbone interact. energy: -2.330
local terms energy: -582.631238
where:
bonds (distance) C4'-P energy: -108.841
bonds (distance) P-C4' energy: -115.254
flat angles C4'-P-C4' energy: -134.113
flat angles P-C4'-P energy: -85.654
tors. eta vs tors. theta energy: -138.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1446.323494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.323494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.323494 (E_RNA)
where:
Base-Base interactions energy: -940.260
where: short stacking energy: -443.330
Base-Backbone interact. energy: 7.949
local terms energy: -514.012743
where:
bonds (distance) C4'-P energy: -122.810
bonds (distance) P-C4' energy: -114.854
flat angles C4'-P-C4' energy: -118.242
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -87.354
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: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1258.901827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.901827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.901827 (E_RNA)
where:
Base-Base interactions energy: -797.708
where: short stacking energy: -371.219
Base-Backbone interact. energy: -0.982
local terms energy: -460.210980
where:
bonds (distance) C4'-P energy: -94.491
bonds (distance) P-C4' energy: -103.730
flat angles C4'-P-C4' energy: -114.637
flat angles P-C4'-P energy: -73.719
tors. eta vs tors. theta energy: -73.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -815.106335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.106335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.106335 (E_RNA)
where:
Base-Base interactions energy: -441.820
where: short stacking energy: -273.048
Base-Backbone interact. energy: -2.846
local terms energy: -370.440881
where:
bonds (distance) C4'-P energy: -102.323
bonds (distance) P-C4' energy: -102.695
flat angles C4'-P-C4' energy: -89.690
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -32.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -598.781180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.781180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.781180 (E_RNA)
where:
Base-Base interactions energy: -247.377
where: short stacking energy: -176.529
Base-Backbone interact. energy: -1.896
local terms energy: -349.508374
where:
bonds (distance) C4'-P energy: -101.553
bonds (distance) P-C4' energy: -106.732
flat angles C4'-P-C4' energy: -83.299
flat angles P-C4'-P energy: -66.579
tors. eta vs tors. theta energy: 8.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2282.419677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.419677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.419677 (E_RNA)
where:
Base-Base interactions energy: -1581.359
where: short stacking energy: -655.198
Base-Backbone interact. energy: -0.261
local terms energy: -700.799859
where:
bonds (distance) C4'-P energy: -132.399
bonds (distance) P-C4' energy: -119.638
flat angles C4'-P-C4' energy: -160.567
flat angles P-C4'-P energy: -98.122
tors. eta vs tors. theta energy: -190.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2268.236333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.236333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.236333 (E_RNA)
where:
Base-Base interactions energy: -1546.612
where: short stacking energy: -646.331
Base-Backbone interact. energy: -4.144
local terms energy: -717.480539
where:
bonds (distance) C4'-P energy: -135.052
bonds (distance) P-C4' energy: -145.754
flat angles C4'-P-C4' energy: -145.781
flat angles P-C4'-P energy: -95.793
tors. eta vs tors. theta energy: -195.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2099.680247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.680247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.680247 (E_RNA)
where:
Base-Base interactions energy: -1436.390
where: short stacking energy: -617.478
Base-Backbone interact. energy: -2.953
local terms energy: -660.337239
where:
bonds (distance) C4'-P energy: -124.373
bonds (distance) P-C4' energy: -128.001
flat angles C4'-P-C4' energy: -144.346
flat angles P-C4'-P energy: -91.574
tors. eta vs tors. theta energy: -172.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2012.031584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.031584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.031584 (E_RNA)
where:
Base-Base interactions energy: -1392.124
where: short stacking energy: -570.856
Base-Backbone interact. energy: 0.867
local terms energy: -620.775373
where:
bonds (distance) C4'-P energy: -118.775
bonds (distance) P-C4' energy: -117.680
flat angles C4'-P-C4' energy: -127.124
flat angles P-C4'-P energy: -93.842
tors. eta vs tors. theta energy: -163.354
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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1851.026149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.026149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.026149 (E_RNA)
where:
Base-Base interactions energy: -1229.261
where: short stacking energy: -577.483
Base-Backbone interact. energy: -2.481
local terms energy: -619.284849
where:
bonds (distance) C4'-P energy: -104.680
bonds (distance) P-C4' energy: -134.505
flat angles C4'-P-C4' energy: -123.379
flat angles P-C4'-P energy: -80.587
tors. eta vs tors. theta energy: -176.133
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1761.886998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.886998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.886998 (E_RNA)
where:
Base-Base interactions energy: -1179.643
where: short stacking energy: -540.999
Base-Backbone interact. energy: 1.767
local terms energy: -584.011110
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -127.372
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -144.650
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: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1440.695348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.695348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.695348 (E_RNA)
where:
Base-Base interactions energy: -934.961
where: short stacking energy: -435.618
Base-Backbone interact. energy: -1.085
local terms energy: -504.649350
where:
bonds (distance) C4'-P energy: -86.751
bonds (distance) P-C4' energy: -122.291
flat angles C4'-P-C4' energy: -135.608
flat angles P-C4'-P energy: -73.237
tors. eta vs tors. theta energy: -86.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1316.990909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.990909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.990909 (E_RNA)
where:
Base-Base interactions energy: -838.329
where: short stacking energy: -375.098
Base-Backbone interact. energy: 2.076
local terms energy: -480.737447
where:
bonds (distance) C4'-P energy: -102.494
bonds (distance) P-C4' energy: -111.830
flat angles C4'-P-C4' energy: -113.969
flat angles P-C4'-P energy: -80.427
tors. eta vs tors. theta energy: -72.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -851.572455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.572455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.572455 (E_RNA)
where:
Base-Base interactions energy: -460.251
where: short stacking energy: -256.797
Base-Backbone interact. energy: 0.605
local terms energy: -391.926010
where:
bonds (distance) C4'-P energy: -99.107
bonds (distance) P-C4' energy: -126.555
flat angles C4'-P-C4' energy: -111.818
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -25.425
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: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -596.657280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.657280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.657280 (E_RNA)
where:
Base-Base interactions energy: -232.036
where: short stacking energy: -166.727
Base-Backbone interact. energy: 0.859
local terms energy: -365.480391
where:
bonds (distance) C4'-P energy: -110.585
bonds (distance) P-C4' energy: -118.192
flat angles C4'-P-C4' energy: -89.405
flat angles P-C4'-P energy: -52.058
tors. eta vs tors. theta energy: 4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2293.603982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.603982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.603982 (E_RNA)
where:
Base-Base interactions energy: -1574.979
where: short stacking energy: -664.041
Base-Backbone interact. energy: -2.791
local terms energy: -715.833538
where:
bonds (distance) C4'-P energy: -116.136
bonds (distance) P-C4' energy: -136.225
flat angles C4'-P-C4' energy: -157.306
flat angles P-C4'-P energy: -107.601
tors. eta vs tors. theta energy: -198.566
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: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2248.927977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.927977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.927977 (E_RNA)
where:
Base-Base interactions energy: -1563.534
where: short stacking energy: -640.496
Base-Backbone interact. energy: 3.749
local terms energy: -689.142768
where:
bonds (distance) C4'-P energy: -127.963
bonds (distance) P-C4' energy: -123.654
flat angles C4'-P-C4' energy: -149.239
flat angles P-C4'-P energy: -97.854
tors. eta vs tors. theta energy: -190.434
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: 180
Temperature: 1.000000
Total energy: -2104.531260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.531260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.531260 (E_RNA)
where:
Base-Base interactions energy: -1439.508
where: short stacking energy: -605.079
Base-Backbone interact. energy: -4.191
local terms energy: -660.832145
where:
bonds (distance) C4'-P energy: -121.662
bonds (distance) P-C4' energy: -117.912
flat angles C4'-P-C4' energy: -148.630
flat angles P-C4'-P energy: -94.967
tors. eta vs tors. theta energy: -177.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2043.284379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.284379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.284379 (E_RNA)
where:
Base-Base interactions energy: -1396.525
where: short stacking energy: -596.519
Base-Backbone interact. energy: -3.034
local terms energy: -643.725323
where:
bonds (distance) C4'-P energy: -112.539
bonds (distance) P-C4' energy: -138.105
flat angles C4'-P-C4' energy: -139.714
flat angles P-C4'-P energy: -91.721
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: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1857.479087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.479087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.479087 (E_RNA)
where:
Base-Base interactions energy: -1236.610
where: short stacking energy: -559.631
Base-Backbone interact. energy: -2.038
local terms energy: -618.831286
where:
bonds (distance) C4'-P energy: -115.097
bonds (distance) P-C4' energy: -127.149
flat angles C4'-P-C4' energy: -120.343
flat angles P-C4'-P energy: -95.011
tors. eta vs tors. theta energy: -161.232
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: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1708.835331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.835331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.835331 (E_RNA)
where:
Base-Base interactions energy: -1158.296
where: short stacking energy: -499.691
Base-Backbone interact. energy: -0.302
local terms energy: -550.237398
where:
bonds (distance) C4'-P energy: -91.338
bonds (distance) P-C4' energy: -124.698
flat angles C4'-P-C4' energy: -124.816
flat angles P-C4'-P energy: -88.256
tors. eta vs tors. theta energy: -121.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1420.981594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.981594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.981594 (E_RNA)
where:
Base-Base interactions energy: -909.682
where: short stacking energy: -411.275
Base-Backbone interact. energy: -1.243
local terms energy: -510.056900
where:
bonds (distance) C4'-P energy: -108.268
bonds (distance) P-C4' energy: -125.054
flat angles C4'-P-C4' energy: -119.366
flat angles P-C4'-P energy: -72.811
tors. eta vs tors. theta energy: -84.558
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: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1325.619168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.619168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.619168 (E_RNA)
where:
Base-Base interactions energy: -829.000
where: short stacking energy: -405.981
Base-Backbone interact. energy: -1.161
local terms energy: -495.458178
where:
bonds (distance) C4'-P energy: -110.006
bonds (distance) P-C4' energy: -117.866
flat angles C4'-P-C4' energy: -126.002
flat angles P-C4'-P energy: -52.427
tors. eta vs tors. theta energy: -89.156
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: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -853.196348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.196348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.196348 (E_RNA)
where:
Base-Base interactions energy: -471.798
where: short stacking energy: -275.608
Base-Backbone interact. energy: -0.271
local terms energy: -381.127796
where:
bonds (distance) C4'-P energy: -90.168
bonds (distance) P-C4' energy: -121.124
flat angles C4'-P-C4' energy: -86.326
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -36.995
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: 180
Temperature: 1.350000
Total energy: -629.196544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.196544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.196544 (E_RNA)
where:
Base-Base interactions energy: -264.129
where: short stacking energy: -183.633
Base-Backbone interact. energy: 3.274
local terms energy: -368.342367
where:
bonds (distance) C4'-P energy: -91.931
bonds (distance) P-C4' energy: -121.040
flat angles C4'-P-C4' energy: -101.501
flat angles P-C4'-P energy: -64.471
tors. eta vs tors. theta energy: 10.599
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: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2259.676656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.676656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.676656 (E_RNA)
where:
Base-Base interactions energy: -1561.840
where: short stacking energy: -668.461
Base-Backbone interact. energy: -3.480
local terms energy: -694.356974
where:
bonds (distance) C4'-P energy: -117.906
bonds (distance) P-C4' energy: -127.628
flat angles C4'-P-C4' energy: -155.018
flat angles P-C4'-P energy: -102.515
tors. eta vs tors. theta energy: -191.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2233.913630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.913630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.913630 (E_RNA)
where:
Base-Base interactions energy: -1567.851
where: short stacking energy: -630.420
Base-Backbone interact. energy: 1.952
local terms energy: -668.014369
where:
bonds (distance) C4'-P energy: -121.708
bonds (distance) P-C4' energy: -121.503
flat angles C4'-P-C4' energy: -143.720
flat angles P-C4'-P energy: -94.666
tors. eta vs tors. theta energy: -186.418
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: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2111.586577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.586577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.586577 (E_RNA)
where:
Base-Base interactions energy: -1447.424
where: short stacking energy: -618.445
Base-Backbone interact. energy: 0.338
local terms energy: -664.501183
where:
bonds (distance) C4'-P energy: -121.858
bonds (distance) P-C4' energy: -131.929
flat angles C4'-P-C4' energy: -151.604
flat angles P-C4'-P energy: -87.775
tors. eta vs tors. theta energy: -171.336
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: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2011.352620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.352620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.352620 (E_RNA)
where:
Base-Base interactions energy: -1367.548
where: short stacking energy: -597.520
Base-Backbone interact. energy: 3.120
local terms energy: -646.925531
where:
bonds (distance) C4'-P energy: -117.398
bonds (distance) P-C4' energy: -121.681
flat angles C4'-P-C4' energy: -143.273
flat angles P-C4'-P energy: -94.055
tors. eta vs tors. theta energy: -170.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1831.027362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.027362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.027362 (E_RNA)
where:
Base-Base interactions energy: -1225.516
where: short stacking energy: -541.349
Base-Backbone interact. energy: -5.192
local terms energy: -600.319261
where:
bonds (distance) C4'-P energy: -100.852
bonds (distance) P-C4' energy: -116.756
flat angles C4'-P-C4' energy: -149.881
flat angles P-C4'-P energy: -82.841
tors. eta vs tors. theta energy: -149.990
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: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1707.330066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.330066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.330066 (E_RNA)
where:
Base-Base interactions energy: -1169.357
where: short stacking energy: -501.388
Base-Backbone interact. energy: 2.705
local terms energy: -540.678138
where:
bonds (distance) C4'-P energy: -112.030
bonds (distance) P-C4' energy: -114.139
flat angles C4'-P-C4' energy: -118.712
flat angles P-C4'-P energy: -59.950
tors. eta vs tors. theta energy: -135.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1459.244961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.244961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.244961 (E_RNA)
where:
Base-Base interactions energy: -944.987
where: short stacking energy: -417.523
Base-Backbone interact. energy: -2.363
local terms energy: -511.895757
where:
bonds (distance) C4'-P energy: -96.810
bonds (distance) P-C4' energy: -118.862
flat angles C4'-P-C4' energy: -119.068
flat angles P-C4'-P energy: -76.969
tors. eta vs tors. theta energy: -100.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1313.897979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.897979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.897979 (E_RNA)
where:
Base-Base interactions energy: -839.585
where: short stacking energy: -384.831
Base-Backbone interact. energy: -2.855
local terms energy: -471.458347
where:
bonds (distance) C4'-P energy: -96.970
bonds (distance) P-C4' energy: -108.419
flat angles C4'-P-C4' energy: -113.625
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -94.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -815.151815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.151815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.151815 (E_RNA)
where:
Base-Base interactions energy: -437.707
where: short stacking energy: -249.207
Base-Backbone interact. energy: 5.445
local terms energy: -382.889002
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -120.350
flat angles C4'-P-C4' energy: -94.804
flat angles P-C4'-P energy: -51.216
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -650.932905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.932905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.932905 (E_RNA)
where:
Base-Base interactions energy: -305.079
where: short stacking energy: -191.700
Base-Backbone interact. energy: 1.225
local terms energy: -347.079661
where:
bonds (distance) C4'-P energy: -111.079
bonds (distance) P-C4' energy: -124.668
flat angles C4'-P-C4' energy: -85.077
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: 18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2288.334837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.334837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.334837 (E_RNA)
where:
Base-Base interactions energy: -1571.755
where: short stacking energy: -663.814
Base-Backbone interact. energy: -3.192
local terms energy: -713.388473
where:
bonds (distance) C4'-P energy: -139.863
bonds (distance) P-C4' energy: -119.979
flat angles C4'-P-C4' energy: -154.567
flat angles P-C4'-P energy: -108.605
tors. eta vs tors. theta energy: -190.374
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: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2237.162721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.162721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.162721 (E_RNA)
where:
Base-Base interactions energy: -1543.302
where: short stacking energy: -643.948
Base-Backbone interact. energy: -1.932
local terms energy: -691.928653
where:
bonds (distance) C4'-P energy: -123.376
bonds (distance) P-C4' energy: -144.744
flat angles C4'-P-C4' energy: -147.881
flat angles P-C4'-P energy: -95.368
tors. eta vs tors. theta energy: -180.560
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: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2072.521471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.521471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.521471 (E_RNA)
where:
Base-Base interactions energy: -1442.687
where: short stacking energy: -604.056
Base-Backbone interact. energy: -1.345
local terms energy: -628.490128
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -135.240
flat angles P-C4'-P energy: -97.668
tors. eta vs tors. theta energy: -159.729
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: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2033.564241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.564241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.564241 (E_RNA)
where:
Base-Base interactions energy: -1417.275
where: short stacking energy: -599.191
Base-Backbone interact. energy: 0.763
local terms energy: -617.052295
where:
bonds (distance) C4'-P energy: -102.714
bonds (distance) P-C4' energy: -136.967
flat angles C4'-P-C4' energy: -139.977
flat angles P-C4'-P energy: -89.498
tors. eta vs tors. theta energy: -147.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1827.500975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.500975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.500975 (E_RNA)
where:
Base-Base interactions energy: -1232.146
where: short stacking energy: -553.151
Base-Backbone interact. energy: -1.012
local terms energy: -594.342776
where:
bonds (distance) C4'-P energy: -110.232
bonds (distance) P-C4' energy: -126.352
flat angles C4'-P-C4' energy: -125.794
flat angles P-C4'-P energy: -86.674
tors. eta vs tors. theta energy: -145.291
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1762.073055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.073055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.073055 (E_RNA)
where:
Base-Base interactions energy: -1182.367
where: short stacking energy: -516.726
Base-Backbone interact. energy: 0.107
local terms energy: -579.812465
where:
bonds (distance) C4'-P energy: -117.378
bonds (distance) P-C4' energy: -110.608
flat angles C4'-P-C4' energy: -128.350
flat angles P-C4'-P energy: -74.721
tors. eta vs tors. theta energy: -148.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1496.647303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.647303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.647303 (E_RNA)
where:
Base-Base interactions energy: -974.247
where: short stacking energy: -434.019
Base-Backbone interact. energy: 5.291
local terms energy: -527.691209
where:
bonds (distance) C4'-P energy: -103.190
bonds (distance) P-C4' energy: -122.800
flat angles C4'-P-C4' energy: -136.691
flat angles P-C4'-P energy: -68.397
tors. eta vs tors. theta energy: -96.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1312.629919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.629919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.629919 (E_RNA)
where:
Base-Base interactions energy: -813.709
where: short stacking energy: -383.928
Base-Backbone interact. energy: -0.494
local terms energy: -498.426593
where:
bonds (distance) C4'-P energy: -119.977
bonds (distance) P-C4' energy: -122.014
flat angles C4'-P-C4' energy: -119.529
flat angles P-C4'-P energy: -60.529
tors. eta vs tors. theta energy: -76.378
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: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -825.126543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.126543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.126543 (E_RNA)
where:
Base-Base interactions energy: -434.398
where: short stacking energy: -260.495
Base-Backbone interact. energy: 0.941
local terms energy: -391.670058
where:
bonds (distance) C4'-P energy: -112.265
bonds (distance) P-C4' energy: -109.416
flat angles C4'-P-C4' energy: -91.734
flat angles P-C4'-P energy: -53.504
tors. eta vs tors. theta energy: -24.750
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: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -640.990297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.990297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.990297 (E_RNA)
where:
Base-Base interactions energy: -297.314
where: short stacking energy: -185.958
Base-Backbone interact. energy: 0.754
local terms energy: -344.429564
where:
bonds (distance) C4'-P energy: -95.618
bonds (distance) P-C4' energy: -104.030
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -50.591
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2242.618684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.618684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.618684 (E_RNA)
where:
Base-Base interactions energy: -1528.918
where: short stacking energy: -630.605
Base-Backbone interact. energy: -2.603
local terms energy: -711.098459
where:
bonds (distance) C4'-P energy: -135.114
bonds (distance) P-C4' energy: -136.130
flat angles C4'-P-C4' energy: -152.689
flat angles P-C4'-P energy: -105.430
tors. eta vs tors. theta energy: -181.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2262.147794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.147794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.147794 (E_RNA)
where:
Base-Base interactions energy: -1572.957
where: short stacking energy: -647.708
Base-Backbone interact. energy: 0.670
local terms energy: -689.860708
where:
bonds (distance) C4'-P energy: -119.426
bonds (distance) P-C4' energy: -129.621
flat angles C4'-P-C4' energy: -154.533
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -191.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2079.833578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.833578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.833578 (E_RNA)
where:
Base-Base interactions energy: -1467.407
where: short stacking energy: -592.820
Base-Backbone interact. energy: 2.375
local terms energy: -614.801278
where:
bonds (distance) C4'-P energy: -129.175
bonds (distance) P-C4' energy: -126.768
flat angles C4'-P-C4' energy: -128.502
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -152.891
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: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2042.017115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.017115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.017115 (E_RNA)
where:
Base-Base interactions energy: -1412.412
where: short stacking energy: -614.554
Base-Backbone interact. energy: -4.102
local terms energy: -625.503013
where:
bonds (distance) C4'-P energy: -114.251
bonds (distance) P-C4' energy: -117.175
flat angles C4'-P-C4' energy: -142.608
flat angles P-C4'-P energy: -92.067
tors. eta vs tors. theta energy: -159.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1800.947749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.947749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.947749 (E_RNA)
where:
Base-Base interactions energy: -1199.828
where: short stacking energy: -526.216
Base-Backbone interact. energy: 0.192
local terms energy: -601.312355
where:
bonds (distance) C4'-P energy: -122.765
bonds (distance) P-C4' energy: -118.958
flat angles C4'-P-C4' energy: -138.301
flat angles P-C4'-P energy: -73.400
tors. eta vs tors. theta energy: -147.889
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1743.858982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.858982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.858982 (E_RNA)
where:
Base-Base interactions energy: -1182.771
where: short stacking energy: -492.391
Base-Backbone interact. energy: -3.414
local terms energy: -557.674057
where:
bonds (distance) C4'-P energy: -116.945
bonds (distance) P-C4' energy: -97.014
flat angles C4'-P-C4' energy: -122.573
flat angles P-C4'-P energy: -88.502
tors. eta vs tors. theta energy: -132.639
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: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1457.773766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.773766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.773766 (E_RNA)
where:
Base-Base interactions energy: -919.334
where: short stacking energy: -436.000
Base-Backbone interact. energy: -2.399
local terms energy: -536.040841
where:
bonds (distance) C4'-P energy: -113.287
bonds (distance) P-C4' energy: -109.912
flat angles C4'-P-C4' energy: -125.575
flat angles P-C4'-P energy: -82.261
tors. eta vs tors. theta energy: -105.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1327.309536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.309536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.309536 (E_RNA)
where:
Base-Base interactions energy: -868.284
where: short stacking energy: -394.333
Base-Backbone interact. energy: 1.244
local terms energy: -460.269490
where:
bonds (distance) C4'-P energy: -92.886
bonds (distance) P-C4' energy: -112.026
flat angles C4'-P-C4' energy: -110.487
flat angles P-C4'-P energy: -66.877
tors. eta vs tors. theta energy: -77.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -850.388963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.388963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.388963 (E_RNA)
where:
Base-Base interactions energy: -446.752
where: short stacking energy: -232.734
Base-Backbone interact. energy: -1.283
local terms energy: -402.354883
where:
bonds (distance) C4'-P energy: -107.907
bonds (distance) P-C4' energy: -105.241
flat angles C4'-P-C4' energy: -107.303
flat angles P-C4'-P energy: -58.502
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -643.671374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.671374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.671374 (E_RNA)
where:
Base-Base interactions energy: -273.929
where: short stacking energy: -185.641
Base-Backbone interact. energy: -0.417
local terms energy: -369.325149
where:
bonds (distance) C4'-P energy: -96.008
bonds (distance) P-C4' energy: -120.834
flat angles C4'-P-C4' energy: -105.600
flat angles P-C4'-P energy: -62.721
tors. eta vs tors. theta energy: 15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2299.046210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.046210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.046210 (E_RNA)
where:
Base-Base interactions energy: -1614.192
where: short stacking energy: -676.349
Base-Backbone interact. energy: -2.242
local terms energy: -682.612645
where:
bonds (distance) C4'-P energy: -123.785
bonds (distance) P-C4' energy: -121.541
flat angles C4'-P-C4' energy: -160.958
flat angles P-C4'-P energy: -82.031
tors. eta vs tors. theta energy: -194.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2290.582243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.582243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.582243 (E_RNA)
where:
Base-Base interactions energy: -1569.411
where: short stacking energy: -665.557
Base-Backbone interact. energy: -2.941
local terms energy: -718.230407
where:
bonds (distance) C4'-P energy: -132.829
bonds (distance) P-C4' energy: -144.953
flat angles C4'-P-C4' energy: -147.706
flat angles P-C4'-P energy: -97.679
tors. eta vs tors. theta energy: -195.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2092.019025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.019025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.019025 (E_RNA)
where:
Base-Base interactions energy: -1449.271
where: short stacking energy: -601.272
Base-Backbone interact. energy: -0.994
local terms energy: -641.753924
where:
bonds (distance) C4'-P energy: -133.708
bonds (distance) P-C4' energy: -116.982
flat angles C4'-P-C4' energy: -141.875
flat angles P-C4'-P energy: -86.311
tors. eta vs tors. theta energy: -162.878
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: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2042.674119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.674119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.674119 (E_RNA)
where:
Base-Base interactions energy: -1387.381
where: short stacking energy: -574.139
Base-Backbone interact. energy: 1.470
local terms energy: -656.762902
where:
bonds (distance) C4'-P energy: -120.837
bonds (distance) P-C4' energy: -137.029
flat angles C4'-P-C4' energy: -147.351
flat angles P-C4'-P energy: -98.781
tors. eta vs tors. theta energy: -152.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1772.560702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.560702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.560702 (E_RNA)
where:
Base-Base interactions energy: -1178.532
where: short stacking energy: -508.716
Base-Backbone interact. energy: -2.856
local terms energy: -591.172597
where:
bonds (distance) C4'-P energy: -111.968
bonds (distance) P-C4' energy: -112.738
flat angles C4'-P-C4' energy: -137.977
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -144.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1692.665529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.665529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.665529 (E_RNA)
where:
Base-Base interactions energy: -1124.445
where: short stacking energy: -465.011
Base-Backbone interact. energy: 0.162
local terms energy: -568.382882
where:
bonds (distance) C4'-P energy: -114.674
bonds (distance) P-C4' energy: -124.405
flat angles C4'-P-C4' energy: -111.789
flat angles P-C4'-P energy: -91.240
tors. eta vs tors. theta energy: -126.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1408.523878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.523878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.523878 (E_RNA)
where:
Base-Base interactions energy: -886.967
where: short stacking energy: -415.003
Base-Backbone interact. energy: -2.778
local terms energy: -518.779210
where:
bonds (distance) C4'-P energy: -101.755
bonds (distance) P-C4' energy: -122.735
flat angles C4'-P-C4' energy: -123.973
flat angles P-C4'-P energy: -73.124
tors. eta vs tors. theta energy: -97.192
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: 8, replica: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1369.078834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.078834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.078834 (E_RNA)
where:
Base-Base interactions energy: -893.985
where: short stacking energy: -419.941
Base-Backbone interact. energy: 1.101
local terms energy: -476.194565
where:
bonds (distance) C4'-P energy: -105.231
bonds (distance) P-C4' energy: -104.633
flat angles C4'-P-C4' energy: -108.775
flat angles P-C4'-P energy: -62.149
tors. eta vs tors. theta energy: -95.406
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: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -683.739153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.739153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.739153 (E_RNA)
where:
Base-Base interactions energy: -312.937
where: short stacking energy: -188.945
Base-Backbone interact. energy: 1.773
local terms energy: -372.574301
where:
bonds (distance) C4'-P energy: -117.433
bonds (distance) P-C4' energy: -119.380
flat angles C4'-P-C4' energy: -93.245
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: 5.015
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: 184
Temperature: 1.350000
Total energy: -787.834455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.834455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.834455 (E_RNA)
where:
Base-Base interactions energy: -431.895
where: short stacking energy: -234.265
Base-Backbone interact. energy: -2.202
local terms energy: -353.738099
where:
bonds (distance) C4'-P energy: -87.577
bonds (distance) P-C4' energy: -105.227
flat angles C4'-P-C4' energy: -105.729
flat angles P-C4'-P energy: -47.624
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2314.268839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.268839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.268839 (E_RNA)
where:
Base-Base interactions energy: -1601.622
where: short stacking energy: -665.215
Base-Backbone interact. energy: -3.942
local terms energy: -708.704377
where:
bonds (distance) C4'-P energy: -119.878
bonds (distance) P-C4' energy: -140.478
flat angles C4'-P-C4' energy: -156.070
flat angles P-C4'-P energy: -98.635
tors. eta vs tors. theta energy: -193.643
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: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2251.957595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.957595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.957595 (E_RNA)
where:
Base-Base interactions energy: -1552.139
where: short stacking energy: -665.286
Base-Backbone interact. energy: -0.749
local terms energy: -699.069369
where:
bonds (distance) C4'-P energy: -132.437
bonds (distance) P-C4' energy: -119.263
flat angles C4'-P-C4' energy: -150.716
flat angles P-C4'-P energy: -96.854
tors. eta vs tors. theta energy: -199.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2099.805176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.805176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.805176 (E_RNA)
where:
Base-Base interactions energy: -1481.192
where: short stacking energy: -617.474
Base-Backbone interact. energy: -2.306
local terms energy: -616.307123
where:
bonds (distance) C4'-P energy: -116.817
bonds (distance) P-C4' energy: -123.650
flat angles C4'-P-C4' energy: -138.388
flat angles P-C4'-P energy: -70.244
tors. eta vs tors. theta energy: -167.209
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: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2001.957384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.957384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.957384 (E_RNA)
where:
Base-Base interactions energy: -1377.320
where: short stacking energy: -572.088
Base-Backbone interact. energy: -0.525
local terms energy: -624.112835
where:
bonds (distance) C4'-P energy: -124.748
bonds (distance) P-C4' energy: -124.093
flat angles C4'-P-C4' energy: -146.134
flat angles P-C4'-P energy: -78.228
tors. eta vs tors. theta energy: -150.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1826.676020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.676020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.676020 (E_RNA)
where:
Base-Base interactions energy: -1234.862
where: short stacking energy: -547.141
Base-Backbone interact. energy: 2.110
local terms energy: -593.923220
where:
bonds (distance) C4'-P energy: -126.953
bonds (distance) P-C4' energy: -118.990
flat angles C4'-P-C4' energy: -109.332
flat angles P-C4'-P energy: -82.047
tors. eta vs tors. theta energy: -156.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1756.841012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.841012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.841012 (E_RNA)
where:
Base-Base interactions energy: -1176.977
where: short stacking energy: -521.832
Base-Backbone interact. energy: 0.668
local terms energy: -580.531869
where:
bonds (distance) C4'-P energy: -118.623
bonds (distance) P-C4' energy: -100.389
flat angles C4'-P-C4' energy: -139.995
flat angles P-C4'-P energy: -75.652
tors. eta vs tors. theta energy: -145.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1464.081285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.081285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.081285 (E_RNA)
where:
Base-Base interactions energy: -945.983
where: short stacking energy: -440.790
Base-Backbone interact. energy: -1.163
local terms energy: -516.935264
where:
bonds (distance) C4'-P energy: -105.629
bonds (distance) P-C4' energy: -109.645
flat angles C4'-P-C4' energy: -123.122
flat angles P-C4'-P energy: -69.450
tors. eta vs tors. theta energy: -109.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1324.397100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.397100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.397100 (E_RNA)
where:
Base-Base interactions energy: -858.884
where: short stacking energy: -368.869
Base-Backbone interact. energy: -3.265
local terms energy: -462.247795
where:
bonds (distance) C4'-P energy: -79.924
bonds (distance) P-C4' energy: -118.186
flat angles C4'-P-C4' energy: -109.172
flat angles P-C4'-P energy: -85.674
tors. eta vs tors. theta energy: -69.292
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: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -658.054983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.054983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.054983 (E_RNA)
where:
Base-Base interactions energy: -284.099
where: short stacking energy: -165.864
Base-Backbone interact. energy: -0.787
local terms energy: -373.169089
where:
bonds (distance) C4'-P energy: -125.211
bonds (distance) P-C4' energy: -116.614
flat angles C4'-P-C4' energy: -98.562
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: 11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -801.084598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.084598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.084598 (E_RNA)
where:
Base-Base interactions energy: -443.548
where: short stacking energy: -236.766
Base-Backbone interact. energy: 0.003
local terms energy: -357.538923
where:
bonds (distance) C4'-P energy: -82.969
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -96.466
flat angles P-C4'-P energy: -62.747
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2288.670192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.670192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.670192 (E_RNA)
where:
Base-Base interactions energy: -1577.264
where: short stacking energy: -669.850
Base-Backbone interact. energy: -3.202
local terms energy: -708.203426
where:
bonds (distance) C4'-P energy: -142.363
bonds (distance) P-C4' energy: -114.829
flat angles C4'-P-C4' energy: -146.798
flat angles P-C4'-P energy: -113.376
tors. eta vs tors. theta energy: -190.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2242.943943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.943943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.943943 (E_RNA)
where:
Base-Base interactions energy: -1562.451
where: short stacking energy: -650.566
Base-Backbone interact. energy: -3.115
local terms energy: -677.377787
where:
bonds (distance) C4'-P energy: -124.191
bonds (distance) P-C4' energy: -115.749
flat angles C4'-P-C4' energy: -154.709
flat angles P-C4'-P energy: -100.015
tors. eta vs tors. theta energy: -182.714
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: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2103.381715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.381715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.381715 (E_RNA)
where:
Base-Base interactions energy: -1456.582
where: short stacking energy: -608.010
Base-Backbone interact. energy: -2.565
local terms energy: -644.235170
where:
bonds (distance) C4'-P energy: -119.515
bonds (distance) P-C4' energy: -132.421
flat angles C4'-P-C4' energy: -136.120
flat angles P-C4'-P energy: -94.570
tors. eta vs tors. theta energy: -161.609
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: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2002.491128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.491128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.491128 (E_RNA)
where:
Base-Base interactions energy: -1393.343
where: short stacking energy: -571.478
Base-Backbone interact. energy: -2.571
local terms energy: -606.577909
where:
bonds (distance) C4'-P energy: -113.370
bonds (distance) P-C4' energy: -130.371
flat angles C4'-P-C4' energy: -141.007
flat angles P-C4'-P energy: -71.226
tors. eta vs tors. theta energy: -150.603
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: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1865.880701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.880701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.880701 (E_RNA)
where:
Base-Base interactions energy: -1235.952
where: short stacking energy: -542.650
Base-Backbone interact. energy: 2.022
local terms energy: -631.950536
where:
bonds (distance) C4'-P energy: -121.930
bonds (distance) P-C4' energy: -126.972
flat angles C4'-P-C4' energy: -128.132
flat angles P-C4'-P energy: -89.294
tors. eta vs tors. theta energy: -165.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1757.776473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.776473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.776473 (E_RNA)
where:
Base-Base interactions energy: -1182.671
where: short stacking energy: -499.740
Base-Backbone interact. energy: -0.691
local terms energy: -574.414396
where:
bonds (distance) C4'-P energy: -106.651
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -128.644
flat angles P-C4'-P energy: -71.778
tors. eta vs tors. theta energy: -140.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1451.041140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.041140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.041140 (E_RNA)
where:
Base-Base interactions energy: -912.807
where: short stacking energy: -398.028
Base-Backbone interact. energy: -1.897
local terms energy: -536.337159
where:
bonds (distance) C4'-P energy: -110.199
bonds (distance) P-C4' energy: -118.754
flat angles C4'-P-C4' energy: -126.522
flat angles P-C4'-P energy: -86.256
tors. eta vs tors. theta energy: -94.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1353.016123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.016123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.016123 (E_RNA)
where:
Base-Base interactions energy: -905.075
where: short stacking energy: -401.767
Base-Backbone interact. energy: 0.600
local terms energy: -448.540603
where:
bonds (distance) C4'-P energy: -104.765
bonds (distance) P-C4' energy: -115.203
flat angles C4'-P-C4' energy: -87.404
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -72.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -848.893249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.893249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.893249 (E_RNA)
where:
Base-Base interactions energy: -471.399
where: short stacking energy: -271.632
Base-Backbone interact. energy: 1.883
local terms energy: -379.377019
where:
bonds (distance) C4'-P energy: -107.987
bonds (distance) P-C4' energy: -116.436
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -627.249530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.249530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.249530 (E_RNA)
where:
Base-Base interactions energy: -292.831
where: short stacking energy: -195.640
Base-Backbone interact. energy: -0.198
local terms energy: -334.220304
where:
bonds (distance) C4'-P energy: -102.170
bonds (distance) P-C4' energy: -120.992
flat angles C4'-P-C4' energy: -71.306
flat angles P-C4'-P energy: -55.614
tors. eta vs tors. theta energy: 15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2294.819268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.819268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.819268 (E_RNA)
where:
Base-Base interactions energy: -1567.826
where: short stacking energy: -667.088
Base-Backbone interact. energy: -5.046
local terms energy: -721.946814
where:
bonds (distance) C4'-P energy: -138.711
bonds (distance) P-C4' energy: -131.540
flat angles C4'-P-C4' energy: -161.426
flat angles P-C4'-P energy: -91.329
tors. eta vs tors. theta energy: -198.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2280.492201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.492201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.492201 (E_RNA)
where:
Base-Base interactions energy: -1581.897
where: short stacking energy: -652.699
Base-Backbone interact. energy: -1.858
local terms energy: -696.736779
where:
bonds (distance) C4'-P energy: -144.624
bonds (distance) P-C4' energy: -140.236
flat angles C4'-P-C4' energy: -140.397
flat angles P-C4'-P energy: -91.996
tors. eta vs tors. theta energy: -179.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2093.742156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.742156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.742156 (E_RNA)
where:
Base-Base interactions energy: -1444.282
where: short stacking energy: -601.221
Base-Backbone interact. energy: -1.781
local terms energy: -647.679072
where:
bonds (distance) C4'-P energy: -122.645
bonds (distance) P-C4' energy: -134.488
flat angles C4'-P-C4' energy: -130.126
flat angles P-C4'-P energy: -89.030
tors. eta vs tors. theta energy: -171.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1983.301123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.301123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.301123 (E_RNA)
where:
Base-Base interactions energy: -1401.792
where: short stacking energy: -578.722
Base-Backbone interact. energy: 2.097
local terms energy: -583.605590
where:
bonds (distance) C4'-P energy: -111.410
bonds (distance) P-C4' energy: -116.623
flat angles C4'-P-C4' energy: -129.866
flat angles P-C4'-P energy: -83.573
tors. eta vs tors. theta energy: -142.133
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: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1862.910204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.910204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.910204 (E_RNA)
where:
Base-Base interactions energy: -1250.260
where: short stacking energy: -563.794
Base-Backbone interact. energy: -0.252
local terms energy: -612.398992
where:
bonds (distance) C4'-P energy: -114.280
bonds (distance) P-C4' energy: -106.184
flat angles C4'-P-C4' energy: -128.600
flat angles P-C4'-P energy: -102.427
tors. eta vs tors. theta energy: -160.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1723.422288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.422288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.422288 (E_RNA)
where:
Base-Base interactions energy: -1163.580
where: short stacking energy: -494.976
Base-Backbone interact. energy: 1.082
local terms energy: -560.923943
where:
bonds (distance) C4'-P energy: -124.239
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -115.396
flat angles P-C4'-P energy: -85.939
tors. eta vs tors. theta energy: -131.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1500.307598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.307598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.307598 (E_RNA)
where:
Base-Base interactions energy: -980.723
where: short stacking energy: -437.295
Base-Backbone interact. energy: 4.581
local terms energy: -524.164969
where:
bonds (distance) C4'-P energy: -121.450
bonds (distance) P-C4' energy: -101.495
flat angles C4'-P-C4' energy: -110.741
flat angles P-C4'-P energy: -80.190
tors. eta vs tors. theta energy: -110.289
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: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1349.670097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.670097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.670097 (E_RNA)
where:
Base-Base interactions energy: -897.310
where: short stacking energy: -363.253
Base-Backbone interact. energy: 1.416
local terms energy: -453.776449
where:
bonds (distance) C4'-P energy: -102.393
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -96.428
flat angles P-C4'-P energy: -72.215
tors. eta vs tors. theta energy: -74.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -828.177329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.177329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.177329 (E_RNA)
where:
Base-Base interactions energy: -445.691
where: short stacking energy: -253.372
Base-Backbone interact. energy: 1.456
local terms energy: -383.942311
where:
bonds (distance) C4'-P energy: -90.521
bonds (distance) P-C4' energy: -113.379
flat angles C4'-P-C4' energy: -88.918
flat angles P-C4'-P energy: -73.719
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -611.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.188529 (E_RNA)
where:
Base-Base interactions energy: -321.364
where: short stacking energy: -197.923
Base-Backbone interact. energy: -1.137
local terms energy: -288.687139
where:
bonds (distance) C4'-P energy: -112.081
bonds (distance) P-C4' energy: -83.365
flat angles C4'-P-C4' energy: -56.665
flat angles P-C4'-P energy: -41.060
tors. eta vs tors. theta energy: 4.484
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2273.047106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.047106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.047106 (E_RNA)
where:
Base-Base interactions energy: -1555.641
where: short stacking energy: -665.827
Base-Backbone interact. energy: -2.772
local terms energy: -714.633529
where:
bonds (distance) C4'-P energy: -134.815
bonds (distance) P-C4' energy: -137.267
flat angles C4'-P-C4' energy: -148.056
flat angles P-C4'-P energy: -98.274
tors. eta vs tors. theta energy: -196.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2231.119287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.119287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.119287 (E_RNA)
where:
Base-Base interactions energy: -1529.845
where: short stacking energy: -636.673
Base-Backbone interact. energy: -1.708
local terms energy: -699.566910
where:
bonds (distance) C4'-P energy: -131.337
bonds (distance) P-C4' energy: -124.282
flat angles C4'-P-C4' energy: -154.996
flat angles P-C4'-P energy: -100.931
tors. eta vs tors. theta energy: -188.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2135.679084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.679084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.679084 (E_RNA)
where:
Base-Base interactions energy: -1478.498
where: short stacking energy: -626.200
Base-Backbone interact. energy: -3.118
local terms energy: -654.062436
where:
bonds (distance) C4'-P energy: -131.623
bonds (distance) P-C4' energy: -120.239
flat angles C4'-P-C4' energy: -145.482
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -171.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1918.563841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.563841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.563841 (E_RNA)
where:
Base-Base interactions energy: -1310.706
where: short stacking energy: -564.398
Base-Backbone interact. energy: -2.996
local terms energy: -604.861204
where:
bonds (distance) C4'-P energy: -118.993
bonds (distance) P-C4' energy: -115.604
flat angles C4'-P-C4' energy: -141.760
flat angles P-C4'-P energy: -88.640
tors. eta vs tors. theta energy: -139.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1861.739581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.739581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.739581 (E_RNA)
where:
Base-Base interactions energy: -1220.247
where: short stacking energy: -528.422
Base-Backbone interact. energy: 0.741
local terms energy: -642.233682
where:
bonds (distance) C4'-P energy: -128.270
bonds (distance) P-C4' energy: -133.656
flat angles C4'-P-C4' energy: -142.130
flat angles P-C4'-P energy: -86.298
tors. eta vs tors. theta energy: -151.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1722.586602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.586602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.586602 (E_RNA)
where:
Base-Base interactions energy: -1124.308
where: short stacking energy: -505.471
Base-Backbone interact. energy: -0.775
local terms energy: -597.503476
where:
bonds (distance) C4'-P energy: -116.355
bonds (distance) P-C4' energy: -127.067
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -84.092
tors. eta vs tors. theta energy: -133.973
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: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1515.065301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.065301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.065301 (E_RNA)
where:
Base-Base interactions energy: -990.303
where: short stacking energy: -447.189
Base-Backbone interact. energy: -1.447
local terms energy: -523.315163
where:
bonds (distance) C4'-P energy: -120.263
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -110.666
flat angles P-C4'-P energy: -74.338
tors. eta vs tors. theta energy: -117.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1378.462662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.462662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.462662 (E_RNA)
where:
Base-Base interactions energy: -911.964
where: short stacking energy: -394.318
Base-Backbone interact. energy: -3.937
local terms energy: -462.561860
where:
bonds (distance) C4'-P energy: -87.871
bonds (distance) P-C4' energy: -127.464
flat angles C4'-P-C4' energy: -105.343
flat angles P-C4'-P energy: -66.203
tors. eta vs tors. theta energy: -75.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -863.363313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.363313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.363313 (E_RNA)
where:
Base-Base interactions energy: -479.944
where: short stacking energy: -275.621
Base-Backbone interact. energy: 4.863
local terms energy: -388.282775
where:
bonds (distance) C4'-P energy: -104.570
bonds (distance) P-C4' energy: -106.654
flat angles C4'-P-C4' energy: -86.267
flat angles P-C4'-P energy: -56.367
tors. eta vs tors. theta energy: -34.425
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: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -680.257374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.257374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.257374 (E_RNA)
where:
Base-Base interactions energy: -344.261
where: short stacking energy: -191.349
Base-Backbone interact. energy: 1.460
local terms energy: -337.456404
where:
bonds (distance) C4'-P energy: -99.372
bonds (distance) P-C4' energy: -112.671
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: 6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2293.123535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.123535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.123535 (E_RNA)
where:
Base-Base interactions energy: -1597.872
where: short stacking energy: -674.768
Base-Backbone interact. energy: -2.433
local terms energy: -692.818700
where:
bonds (distance) C4'-P energy: -115.150
bonds (distance) P-C4' energy: -125.931
flat angles C4'-P-C4' energy: -160.526
flat angles P-C4'-P energy: -96.378
tors. eta vs tors. theta energy: -194.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2254.483993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.483993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.483993 (E_RNA)
where:
Base-Base interactions energy: -1556.183
where: short stacking energy: -637.415
Base-Backbone interact. energy: -3.872
local terms energy: -694.429657
where:
bonds (distance) C4'-P energy: -128.506
bonds (distance) P-C4' energy: -129.142
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -89.766
tors. eta vs tors. theta energy: -196.684
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: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2130.669564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.669564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.669564 (E_RNA)
where:
Base-Base interactions energy: -1484.626
where: short stacking energy: -606.927
Base-Backbone interact. energy: -2.505
local terms energy: -643.538812
where:
bonds (distance) C4'-P energy: -122.865
bonds (distance) P-C4' energy: -123.493
flat angles C4'-P-C4' energy: -137.425
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -177.217
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: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1896.282929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.282929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.282929 (E_RNA)
where:
Base-Base interactions energy: -1317.448
where: short stacking energy: -536.666
Base-Backbone interact. energy: -3.109
local terms energy: -575.725973
where:
bonds (distance) C4'-P energy: -117.531
bonds (distance) P-C4' energy: -118.811
flat angles C4'-P-C4' energy: -130.881
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -134.318
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1827.722813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.722813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.722813 (E_RNA)
where:
Base-Base interactions energy: -1258.140
where: short stacking energy: -552.585
Base-Backbone interact. energy: 1.857
local terms energy: -571.439628
where:
bonds (distance) C4'-P energy: -100.525
bonds (distance) P-C4' energy: -111.613
flat angles C4'-P-C4' energy: -132.067
flat angles P-C4'-P energy: -77.232
tors. eta vs tors. theta energy: -150.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1722.407176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.407176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.407176 (E_RNA)
where:
Base-Base interactions energy: -1125.533
where: short stacking energy: -501.229
Base-Backbone interact. energy: -1.732
local terms energy: -595.141674
where:
bonds (distance) C4'-P energy: -126.473
bonds (distance) P-C4' energy: -127.097
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -77.265
tors. eta vs tors. theta energy: -137.576
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: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1502.591217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.591217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.591217 (E_RNA)
where:
Base-Base interactions energy: -959.875
where: short stacking energy: -433.413
Base-Backbone interact. energy: -1.954
local terms energy: -540.761286
where:
bonds (distance) C4'-P energy: -101.033
bonds (distance) P-C4' energy: -121.946
flat angles C4'-P-C4' energy: -121.280
flat angles P-C4'-P energy: -94.861
tors. eta vs tors. theta energy: -101.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1362.085990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.085990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.085990 (E_RNA)
where:
Base-Base interactions energy: -912.443
where: short stacking energy: -379.765
Base-Backbone interact. energy: 2.436
local terms energy: -452.079187
where:
bonds (distance) C4'-P energy: -105.473
bonds (distance) P-C4' energy: -109.388
flat angles C4'-P-C4' energy: -101.025
flat angles P-C4'-P energy: -59.770
tors. eta vs tors. theta energy: -76.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -819.552269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.552269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.552269 (E_RNA)
where:
Base-Base interactions energy: -446.713
where: short stacking energy: -238.166
Base-Backbone interact. energy: 5.558
local terms energy: -378.396657
where:
bonds (distance) C4'-P energy: -111.215
bonds (distance) P-C4' energy: -109.948
flat angles C4'-P-C4' energy: -101.571
flat angles P-C4'-P energy: -65.233
tors. eta vs tors. theta energy: 9.570
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: 189
Temperature: 1.350000
Total energy: -673.746117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.746117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.746117 (E_RNA)
where:
Base-Base interactions energy: -313.182
where: short stacking energy: -185.121
Base-Backbone interact. energy: 1.938
local terms energy: -362.502358
where:
bonds (distance) C4'-P energy: -90.037
bonds (distance) P-C4' energy: -104.313
flat angles C4'-P-C4' energy: -104.823
flat angles P-C4'-P energy: -64.814
tors. eta vs tors. theta energy: 1.484
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: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2272.688398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.688398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.688398 (E_RNA)
where:
Base-Base interactions energy: -1570.770
where: short stacking energy: -659.647
Base-Backbone interact. energy: -0.880
local terms energy: -701.038467
where:
bonds (distance) C4'-P energy: -138.277
bonds (distance) P-C4' energy: -119.362
flat angles C4'-P-C4' energy: -141.041
flat angles P-C4'-P energy: -111.714
tors. eta vs tors. theta energy: -190.645
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: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2244.725478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.725478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.725478 (E_RNA)
where:
Base-Base interactions energy: -1558.202
where: short stacking energy: -663.487
Base-Backbone interact. energy: -3.495
local terms energy: -683.028448
where:
bonds (distance) C4'-P energy: -129.042
bonds (distance) P-C4' energy: -129.941
flat angles C4'-P-C4' energy: -143.981
flat angles P-C4'-P energy: -91.231
tors. eta vs tors. theta energy: -188.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2112.367272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.367272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.367272 (E_RNA)
where:
Base-Base interactions energy: -1471.192
where: short stacking energy: -594.013
Base-Backbone interact. energy: 1.421
local terms energy: -642.596116
where:
bonds (distance) C4'-P energy: -116.171
bonds (distance) P-C4' energy: -123.538
flat angles C4'-P-C4' energy: -147.191
flat angles P-C4'-P energy: -83.408
tors. eta vs tors. theta energy: -172.288
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1952.537758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.537758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.537758 (E_RNA)
where:
Base-Base interactions energy: -1309.767
where: short stacking energy: -586.680
Base-Backbone interact. energy: -2.395
local terms energy: -640.375820
where:
bonds (distance) C4'-P energy: -123.197
bonds (distance) P-C4' energy: -118.544
flat angles C4'-P-C4' energy: -139.581
flat angles P-C4'-P energy: -95.748
tors. eta vs tors. theta energy: -163.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1861.575709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.575709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.575709 (E_RNA)
where:
Base-Base interactions energy: -1248.333
where: short stacking energy: -556.843
Base-Backbone interact. energy: 0.490
local terms energy: -613.732123
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -110.603
flat angles C4'-P-C4' energy: -140.194
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -162.761
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: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1711.972745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.972745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.972745 (E_RNA)
where:
Base-Base interactions energy: -1129.185
where: short stacking energy: -524.840
Base-Backbone interact. energy: -0.617
local terms energy: -582.170348
where:
bonds (distance) C4'-P energy: -110.063
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -132.074
flat angles P-C4'-P energy: -72.954
tors. eta vs tors. theta energy: -151.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1620.298242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.298242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.298242 (E_RNA)
where:
Base-Base interactions energy: -1089.891
where: short stacking energy: -507.189
Base-Backbone interact. energy: 2.918
local terms energy: -533.325172
where:
bonds (distance) C4'-P energy: -118.042
bonds (distance) P-C4' energy: -112.989
flat angles C4'-P-C4' energy: -117.495
flat angles P-C4'-P energy: -67.883
tors. eta vs tors. theta energy: -116.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1352.361820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.361820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.361820 (E_RNA)
where:
Base-Base interactions energy: -893.342
where: short stacking energy: -385.315
Base-Backbone interact. energy: 0.867
local terms energy: -459.886617
where:
bonds (distance) C4'-P energy: -104.144
bonds (distance) P-C4' energy: -97.078
flat angles C4'-P-C4' energy: -123.805
flat angles P-C4'-P energy: -65.274
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -846.365631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.365631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.365631 (E_RNA)
where:
Base-Base interactions energy: -472.309
where: short stacking energy: -271.817
Base-Backbone interact. energy: 0.296
local terms energy: -374.352481
where:
bonds (distance) C4'-P energy: -82.765
bonds (distance) P-C4' energy: -109.408
flat angles C4'-P-C4' energy: -97.421
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -27.038
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: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -682.409000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.409000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.409000 (E_RNA)
where:
Base-Base interactions energy: -317.345
where: short stacking energy: -193.001
Base-Backbone interact. energy: 4.788
local terms energy: -369.851461
where:
bonds (distance) C4'-P energy: -109.370
bonds (distance) P-C4' energy: -109.086
flat angles C4'-P-C4' energy: -101.015
flat angles P-C4'-P energy: -54.545
tors. eta vs tors. theta energy: 4.164
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: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2275.734971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.734971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.734971 (E_RNA)
where:
Base-Base interactions energy: -1572.077
where: short stacking energy: -659.724
Base-Backbone interact. energy: -2.258
local terms energy: -701.400027
where:
bonds (distance) C4'-P energy: -124.303
bonds (distance) P-C4' energy: -130.200
flat angles C4'-P-C4' energy: -150.552
flat angles P-C4'-P energy: -105.839
tors. eta vs tors. theta energy: -190.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2256.869929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.869929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.869929 (E_RNA)
where:
Base-Base interactions energy: -1595.366
where: short stacking energy: -658.254
Base-Backbone interact. energy: 3.685
local terms energy: -665.189070
where:
bonds (distance) C4'-P energy: -108.209
bonds (distance) P-C4' energy: -129.221
flat angles C4'-P-C4' energy: -152.691
flat angles P-C4'-P energy: -84.925
tors. eta vs tors. theta energy: -190.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2104.972278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.972278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.972278 (E_RNA)
where:
Base-Base interactions energy: -1477.144
where: short stacking energy: -598.223
Base-Backbone interact. energy: 1.252
local terms energy: -629.080523
where:
bonds (distance) C4'-P energy: -112.002
bonds (distance) P-C4' energy: -127.671
flat angles C4'-P-C4' energy: -141.949
flat angles P-C4'-P energy: -79.375
tors. eta vs tors. theta energy: -168.083
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: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1956.232423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.232423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.232423 (E_RNA)
where:
Base-Base interactions energy: -1329.957
where: short stacking energy: -570.937
Base-Backbone interact. energy: 1.745
local terms energy: -628.020545
where:
bonds (distance) C4'-P energy: -104.788
bonds (distance) P-C4' energy: -124.491
flat angles C4'-P-C4' energy: -138.304
flat angles P-C4'-P energy: -105.395
tors. eta vs tors. theta energy: -155.042
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: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1827.776909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.776909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.776909 (E_RNA)
where:
Base-Base interactions energy: -1251.676
where: short stacking energy: -541.648
Base-Backbone interact. energy: -3.019
local terms energy: -573.082703
where:
bonds (distance) C4'-P energy: -107.473
bonds (distance) P-C4' energy: -102.440
flat angles C4'-P-C4' energy: -145.421
flat angles P-C4'-P energy: -77.665
tors. eta vs tors. theta energy: -140.084
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: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1704.168421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.168421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.168421 (E_RNA)
where:
Base-Base interactions energy: -1128.543
where: short stacking energy: -475.350
Base-Backbone interact. energy: -3.768
local terms energy: -571.857365
where:
bonds (distance) C4'-P energy: -106.070
bonds (distance) P-C4' energy: -114.329
flat angles C4'-P-C4' energy: -128.905
flat angles P-C4'-P energy: -81.448
tors. eta vs tors. theta energy: -141.106
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: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1566.992400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.992400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.992400 (E_RNA)
where:
Base-Base interactions energy: -1037.100
where: short stacking energy: -440.083
Base-Backbone interact. energy: 1.784
local terms energy: -531.676691
where:
bonds (distance) C4'-P energy: -111.735
bonds (distance) P-C4' energy: -102.117
flat angles C4'-P-C4' energy: -112.713
flat angles P-C4'-P energy: -84.776
tors. eta vs tors. theta energy: -120.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1378.085963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.085963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.085963 (E_RNA)
where:
Base-Base interactions energy: -875.291
where: short stacking energy: -371.143
Base-Backbone interact. energy: -2.602
local terms energy: -500.192538
where:
bonds (distance) C4'-P energy: -118.789
bonds (distance) P-C4' energy: -112.115
flat angles C4'-P-C4' energy: -121.067
flat angles P-C4'-P energy: -72.450
tors. eta vs tors. theta energy: -75.771
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: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -868.465545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.465545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.465545 (E_RNA)
where:
Base-Base interactions energy: -474.346
where: short stacking energy: -241.785
Base-Backbone interact. energy: -2.300
local terms energy: -391.819288
where:
bonds (distance) C4'-P energy: -109.903
bonds (distance) P-C4' energy: -105.189
flat angles C4'-P-C4' energy: -88.892
flat angles P-C4'-P energy: -58.734
tors. eta vs tors. theta energy: -29.100
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: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -690.139620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.139620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.139620 (E_RNA)
where:
Base-Base interactions energy: -320.478
where: short stacking energy: -177.773
Base-Backbone interact. energy: -2.354
local terms energy: -367.307995
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -111.898
flat angles C4'-P-C4' energy: -96.812
flat angles P-C4'-P energy: -68.316
tors. eta vs tors. theta energy: 5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2294.816253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.816253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.816253 (E_RNA)
where:
Base-Base interactions energy: -1596.900
where: short stacking energy: -661.725
Base-Backbone interact. energy: -2.793
local terms energy: -695.122523
where:
bonds (distance) C4'-P energy: -130.806
bonds (distance) P-C4' energy: -125.953
flat angles C4'-P-C4' energy: -150.118
flat angles P-C4'-P energy: -97.811
tors. eta vs tors. theta energy: -190.434
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: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2260.804307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.804307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.804307 (E_RNA)
where:
Base-Base interactions energy: -1557.077
where: short stacking energy: -657.124
Base-Backbone interact. energy: -5.091
local terms energy: -698.636053
where:
bonds (distance) C4'-P energy: -130.324
bonds (distance) P-C4' energy: -123.448
flat angles C4'-P-C4' energy: -146.433
flat angles P-C4'-P energy: -106.829
tors. eta vs tors. theta energy: -191.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2151.496193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.496193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.496193 (E_RNA)
where:
Base-Base interactions energy: -1486.358
where: short stacking energy: -630.313
Base-Backbone interact. energy: -0.935
local terms energy: -664.203438
where:
bonds (distance) C4'-P energy: -117.299
bonds (distance) P-C4' energy: -126.971
flat angles C4'-P-C4' energy: -150.875
flat angles P-C4'-P energy: -104.658
tors. eta vs tors. theta energy: -164.400
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: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1984.822856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.822856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.822856 (E_RNA)
where:
Base-Base interactions energy: -1367.928
where: short stacking energy: -586.048
Base-Backbone interact. energy: -2.592
local terms energy: -614.303083
where:
bonds (distance) C4'-P energy: -110.949
bonds (distance) P-C4' energy: -123.562
flat angles C4'-P-C4' energy: -132.621
flat angles P-C4'-P energy: -98.336
tors. eta vs tors. theta energy: -148.835
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: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1792.708073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.708073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.708073 (E_RNA)
where:
Base-Base interactions energy: -1201.273
where: short stacking energy: -526.876
Base-Backbone interact. energy: -0.443
local terms energy: -590.991211
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -122.037
flat angles C4'-P-C4' energy: -129.750
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -137.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1765.215970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.215970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.215970 (E_RNA)
where:
Base-Base interactions energy: -1167.342
where: short stacking energy: -538.189
Base-Backbone interact. energy: 0.990
local terms energy: -598.863206
where:
bonds (distance) C4'-P energy: -112.017
bonds (distance) P-C4' energy: -132.684
flat angles C4'-P-C4' energy: -142.357
flat angles P-C4'-P energy: -74.021
tors. eta vs tors. theta energy: -137.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1594.281695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.281695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.281695 (E_RNA)
where:
Base-Base interactions energy: -1059.350
where: short stacking energy: -454.144
Base-Backbone interact. energy: -1.615
local terms energy: -533.316840
where:
bonds (distance) C4'-P energy: -80.418
bonds (distance) P-C4' energy: -129.241
flat angles C4'-P-C4' energy: -124.408
flat angles P-C4'-P energy: -75.250
tors. eta vs tors. theta energy: -124.000
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: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1377.667802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.667802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.667802 (E_RNA)
where:
Base-Base interactions energy: -921.476
where: short stacking energy: -377.174
Base-Backbone interact. energy: 2.534
local terms energy: -458.725742
where:
bonds (distance) C4'-P energy: -78.679
bonds (distance) P-C4' energy: -114.846
flat angles C4'-P-C4' energy: -122.373
flat angles P-C4'-P energy: -69.611
tors. eta vs tors. theta energy: -73.215
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: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -845.861660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.861660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.861660 (E_RNA)
where:
Base-Base interactions energy: -454.933
where: short stacking energy: -245.334
Base-Backbone interact. energy: -2.104
local terms energy: -388.824810
where:
bonds (distance) C4'-P energy: -96.850
bonds (distance) P-C4' energy: -120.848
flat angles C4'-P-C4' energy: -92.718
flat angles P-C4'-P energy: -65.482
tors. eta vs tors. theta energy: -12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -588.118300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.118300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.118300 (E_RNA)
where:
Base-Base interactions energy: -242.729
where: short stacking energy: -174.397
Base-Backbone interact. energy: 2.988
local terms energy: -348.376405
where:
bonds (distance) C4'-P energy: -80.623
bonds (distance) P-C4' energy: -120.557
flat angles C4'-P-C4' energy: -94.173
flat angles P-C4'-P energy: -69.919
tors. eta vs tors. theta energy: 16.895
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: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2316.190136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.190136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.190136 (E_RNA)
where:
Base-Base interactions energy: -1595.169
where: short stacking energy: -653.487
Base-Backbone interact. energy: -3.290
local terms energy: -717.730884
where:
bonds (distance) C4'-P energy: -132.208
bonds (distance) P-C4' energy: -120.095
flat angles C4'-P-C4' energy: -165.952
flat angles P-C4'-P energy: -107.070
tors. eta vs tors. theta energy: -192.406
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: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2225.635673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.635673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.635673 (E_RNA)
where:
Base-Base interactions energy: -1519.307
where: short stacking energy: -663.562
Base-Backbone interact. energy: -1.959
local terms energy: -704.369244
where:
bonds (distance) C4'-P energy: -131.177
bonds (distance) P-C4' energy: -138.738
flat angles C4'-P-C4' energy: -143.676
flat angles P-C4'-P energy: -92.151
tors. eta vs tors. theta energy: -198.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2114.083394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.083394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.083394 (E_RNA)
where:
Base-Base interactions energy: -1479.504
where: short stacking energy: -588.332
Base-Backbone interact. energy: 2.219
local terms energy: -636.797754
where:
bonds (distance) C4'-P energy: -117.992
bonds (distance) P-C4' energy: -131.305
flat angles C4'-P-C4' energy: -134.497
flat angles P-C4'-P energy: -95.001
tors. eta vs tors. theta energy: -158.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1991.280912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.280912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.280912 (E_RNA)
where:
Base-Base interactions energy: -1359.947
where: short stacking energy: -585.578
Base-Backbone interact. energy: -4.043
local terms energy: -627.290850
where:
bonds (distance) C4'-P energy: -121.853
bonds (distance) P-C4' energy: -134.335
flat angles C4'-P-C4' energy: -125.940
flat angles P-C4'-P energy: -91.883
tors. eta vs tors. theta energy: -153.279
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: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1799.886401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.886401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.886401 (E_RNA)
where:
Base-Base interactions energy: -1210.473
where: short stacking energy: -537.342
Base-Backbone interact. energy: -3.725
local terms energy: -585.688951
where:
bonds (distance) C4'-P energy: -104.949
bonds (distance) P-C4' energy: -109.547
flat angles C4'-P-C4' energy: -146.449
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -145.395
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: 193
Temperature: 1.150000
Total energy: -1754.692684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.692684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.692684 (E_RNA)
where:
Base-Base interactions energy: -1179.695
where: short stacking energy: -533.823
Base-Backbone interact. energy: 1.520
local terms energy: -576.518114
where:
bonds (distance) C4'-P energy: -106.181
bonds (distance) P-C4' energy: -119.526
flat angles C4'-P-C4' energy: -126.417
flat angles P-C4'-P energy: -88.336
tors. eta vs tors. theta energy: -136.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1553.922012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.922012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.922012 (E_RNA)
where:
Base-Base interactions energy: -1053.291
where: short stacking energy: -483.356
Base-Backbone interact. energy: -2.514
local terms energy: -498.116868
where:
bonds (distance) C4'-P energy: -97.080
bonds (distance) P-C4' energy: -104.705
flat angles C4'-P-C4' energy: -119.368
flat angles P-C4'-P energy: -68.737
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: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1452.675812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.675812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.675812 (E_RNA)
where:
Base-Base interactions energy: -965.620
where: short stacking energy: -425.328
Base-Backbone interact. energy: 2.022
local terms energy: -489.078386
where:
bonds (distance) C4'-P energy: -101.040
bonds (distance) P-C4' energy: -113.155
flat angles C4'-P-C4' energy: -97.177
flat angles P-C4'-P energy: -79.815
tors. eta vs tors. theta energy: -97.892
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -866.770252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.770252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.770252 (E_RNA)
where:
Base-Base interactions energy: -438.556
where: short stacking energy: -259.359
Base-Backbone interact. energy: 6.310
local terms energy: -434.523751
where:
bonds (distance) C4'-P energy: -114.947
bonds (distance) P-C4' energy: -115.284
flat angles C4'-P-C4' energy: -106.067
flat angles P-C4'-P energy: -66.852
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -599.222171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.222171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.222171 (E_RNA)
where:
Base-Base interactions energy: -258.623
where: short stacking energy: -184.665
Base-Backbone interact. energy: 1.034
local terms energy: -341.633495
where:
bonds (distance) C4'-P energy: -117.834
bonds (distance) P-C4' energy: -102.317
flat angles C4'-P-C4' energy: -77.650
flat angles P-C4'-P energy: -55.308
tors. eta vs tors. theta energy: 11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2309.212829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.212829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.212829 (E_RNA)
where:
Base-Base interactions energy: -1615.429
where: short stacking energy: -692.003
Base-Backbone interact. energy: 0.070
local terms energy: -693.854526
where:
bonds (distance) C4'-P energy: -128.443
bonds (distance) P-C4' energy: -122.312
flat angles C4'-P-C4' energy: -143.138
flat angles P-C4'-P energy: -95.138
tors. eta vs tors. theta energy: -204.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2213.694557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.694557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.694557 (E_RNA)
where:
Base-Base interactions energy: -1530.504
where: short stacking energy: -601.329
Base-Backbone interact. energy: -4.699
local terms energy: -678.491926
where:
bonds (distance) C4'-P energy: -123.035
bonds (distance) P-C4' energy: -122.013
flat angles C4'-P-C4' energy: -147.923
flat angles P-C4'-P energy: -101.338
tors. eta vs tors. theta energy: -184.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2117.118128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.118128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.118128 (E_RNA)
where:
Base-Base interactions energy: -1458.460
where: short stacking energy: -580.002
Base-Backbone interact. energy: 1.074
local terms energy: -659.731915
where:
bonds (distance) C4'-P energy: -132.476
bonds (distance) P-C4' energy: -138.673
flat angles C4'-P-C4' energy: -141.376
flat angles P-C4'-P energy: -91.571
tors. eta vs tors. theta energy: -155.636
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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1988.303172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.303172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.303172 (E_RNA)
where:
Base-Base interactions energy: -1385.960
where: short stacking energy: -619.796
Base-Backbone interact. energy: 4.412
local terms energy: -606.754484
where:
bonds (distance) C4'-P energy: -97.457
bonds (distance) P-C4' energy: -129.075
flat angles C4'-P-C4' energy: -133.856
flat angles P-C4'-P energy: -94.519
tors. eta vs tors. theta energy: -151.848
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: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1785.577298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.577298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.577298 (E_RNA)
where:
Base-Base interactions energy: -1185.137
where: short stacking energy: -530.403
Base-Backbone interact. energy: 1.437
local terms energy: -601.876741
where:
bonds (distance) C4'-P energy: -110.572
bonds (distance) P-C4' energy: -115.393
flat angles C4'-P-C4' energy: -131.467
flat angles P-C4'-P energy: -93.075
tors. eta vs tors. theta energy: -151.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1757.022790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.022790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.022790 (E_RNA)
where:
Base-Base interactions energy: -1198.469
where: short stacking energy: -539.389
Base-Backbone interact. energy: 4.142
local terms energy: -562.694905
where:
bonds (distance) C4'-P energy: -107.087
bonds (distance) P-C4' energy: -108.156
flat angles C4'-P-C4' energy: -137.441
flat angles P-C4'-P energy: -76.915
tors. eta vs tors. theta energy: -133.097
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1592.803330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.803330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.803330 (E_RNA)
where:
Base-Base interactions energy: -1063.159
where: short stacking energy: -444.927
Base-Backbone interact. energy: -0.508
local terms energy: -529.136529
where:
bonds (distance) C4'-P energy: -114.590
bonds (distance) P-C4' energy: -108.208
flat angles C4'-P-C4' energy: -104.153
flat angles P-C4'-P energy: -80.500
tors. eta vs tors. theta energy: -121.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1506.734039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.734039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.734039 (E_RNA)
where:
Base-Base interactions energy: -988.336
where: short stacking energy: -439.351
Base-Backbone interact. energy: -1.765
local terms energy: -516.633741
where:
bonds (distance) C4'-P energy: -109.540
bonds (distance) P-C4' energy: -95.329
flat angles C4'-P-C4' energy: -111.305
flat angles P-C4'-P energy: -70.875
tors. eta vs tors. theta energy: -129.583
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: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -831.066242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.066242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.066242 (E_RNA)
where:
Base-Base interactions energy: -454.822
where: short stacking energy: -232.166
Base-Backbone interact. energy: 0.304
local terms energy: -376.548177
where:
bonds (distance) C4'-P energy: -96.986
bonds (distance) P-C4' energy: -121.594
flat angles C4'-P-C4' energy: -95.916
flat angles P-C4'-P energy: -65.740
tors. eta vs tors. theta energy: 3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -590.214959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.214959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.214959 (E_RNA)
where:
Base-Base interactions energy: -264.256
where: short stacking energy: -204.531
Base-Backbone interact. energy: -0.628
local terms energy: -325.330841
where:
bonds (distance) C4'-P energy: -73.920
bonds (distance) P-C4' energy: -104.548
flat angles C4'-P-C4' energy: -95.782
flat angles P-C4'-P energy: -61.305
tors. eta vs tors. theta energy: 10.223
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: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2303.847032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.847032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.847032 (E_RNA)
where:
Base-Base interactions energy: -1592.725
where: short stacking energy: -671.820
Base-Backbone interact. energy: -3.945
local terms energy: -707.177256
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -128.396
flat angles C4'-P-C4' energy: -148.179
flat angles P-C4'-P energy: -111.506
tors. eta vs tors. theta energy: -195.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2222.798751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.798751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.798751 (E_RNA)
where:
Base-Base interactions energy: -1523.458
where: short stacking energy: -650.677
Base-Backbone interact. energy: -2.591
local terms energy: -696.749377
where:
bonds (distance) C4'-P energy: -118.309
bonds (distance) P-C4' energy: -136.312
flat angles C4'-P-C4' energy: -153.837
flat angles P-C4'-P energy: -105.846
tors. eta vs tors. theta energy: -182.446
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: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2146.400926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.400926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.400926 (E_RNA)
where:
Base-Base interactions energy: -1498.189
where: short stacking energy: -600.553
Base-Backbone interact. energy: -0.743
local terms energy: -647.468683
where:
bonds (distance) C4'-P energy: -121.773
bonds (distance) P-C4' energy: -124.776
flat angles C4'-P-C4' energy: -142.614
flat angles P-C4'-P energy: -91.625
tors. eta vs tors. theta energy: -166.681
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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1920.071975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.071975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.071975 (E_RNA)
where:
Base-Base interactions energy: -1356.394
where: short stacking energy: -572.318
Base-Backbone interact. energy: 1.482
local terms energy: -565.160176
where:
bonds (distance) C4'-P energy: -111.784
bonds (distance) P-C4' energy: -116.120
flat angles C4'-P-C4' energy: -122.446
flat angles P-C4'-P energy: -83.331
tors. eta vs tors. theta energy: -131.480
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1833.951194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.951194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.951194 (E_RNA)
where:
Base-Base interactions energy: -1219.277
where: short stacking energy: -529.818
Base-Backbone interact. energy: -1.674
local terms energy: -613.000466
where:
bonds (distance) C4'-P energy: -126.050
bonds (distance) P-C4' energy: -129.865
flat angles C4'-P-C4' energy: -131.950
flat angles P-C4'-P energy: -82.599
tors. eta vs tors. theta energy: -142.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1712.448135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.448135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.448135 (E_RNA)
where:
Base-Base interactions energy: -1150.517
where: short stacking energy: -544.557
Base-Backbone interact. energy: -2.261
local terms energy: -559.670384
where:
bonds (distance) C4'-P energy: -107.001
bonds (distance) P-C4' energy: -111.953
flat angles C4'-P-C4' energy: -121.490
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -143.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1668.516270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.516270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.516270 (E_RNA)
where:
Base-Base interactions energy: -1100.527
where: short stacking energy: -511.109
Base-Backbone interact. energy: -1.034
local terms energy: -566.955543
where:
bonds (distance) C4'-P energy: -126.092
bonds (distance) P-C4' energy: -103.628
flat angles C4'-P-C4' energy: -137.019
flat angles P-C4'-P energy: -73.089
tors. eta vs tors. theta energy: -127.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1485.674169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.674169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.674169 (E_RNA)
where:
Base-Base interactions energy: -994.369
where: short stacking energy: -426.721
Base-Backbone interact. energy: 2.737
local terms energy: -494.042733
where:
bonds (distance) C4'-P energy: -92.006
bonds (distance) P-C4' energy: -113.840
flat angles C4'-P-C4' energy: -116.776
flat angles P-C4'-P energy: -75.102
tors. eta vs tors. theta energy: -96.320
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: 195
Temperature: 1.300000
Total energy: -776.641503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.641503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.641503 (E_RNA)
where:
Base-Base interactions energy: -376.560
where: short stacking energy: -215.376
Base-Backbone interact. energy: -2.808
local terms energy: -397.272620
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -109.772
flat angles C4'-P-C4' energy: -97.354
flat angles P-C4'-P energy: -81.189
tors. eta vs tors. theta energy: -6.312
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: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -585.499040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.499040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.499040 (E_RNA)
where:
Base-Base interactions energy: -233.815
where: short stacking energy: -163.614
Base-Backbone interact. energy: 4.158
local terms energy: -355.842126
where:
bonds (distance) C4'-P energy: -111.740
bonds (distance) P-C4' energy: -101.919
flat angles C4'-P-C4' energy: -105.350
flat angles P-C4'-P energy: -46.647
tors. eta vs tors. theta energy: 9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2318.557633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.557633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.557633 (E_RNA)
where:
Base-Base interactions energy: -1602.182
where: short stacking energy: -669.397
Base-Backbone interact. energy: -3.961
local terms energy: -712.414053
where:
bonds (distance) C4'-P energy: -130.725
bonds (distance) P-C4' energy: -127.819
flat angles C4'-P-C4' energy: -145.177
flat angles P-C4'-P energy: -103.241
tors. eta vs tors. theta energy: -205.453
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2215.943159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.943159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.943159 (E_RNA)
where:
Base-Base interactions energy: -1547.183
where: short stacking energy: -623.388
Base-Backbone interact. energy: -4.301
local terms energy: -664.458567
where:
bonds (distance) C4'-P energy: -122.789
bonds (distance) P-C4' energy: -124.879
flat angles C4'-P-C4' energy: -146.728
flat angles P-C4'-P energy: -93.692
tors. eta vs tors. theta energy: -176.370
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: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2071.609413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.609413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.609413 (E_RNA)
where:
Base-Base interactions energy: -1439.241
where: short stacking energy: -603.117
Base-Backbone interact. energy: -2.610
local terms energy: -629.757926
where:
bonds (distance) C4'-P energy: -121.283
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -141.219
flat angles P-C4'-P energy: -97.071
tors. eta vs tors. theta energy: -156.965
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: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1964.088061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.088061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.088061 (E_RNA)
where:
Base-Base interactions energy: -1343.468
where: short stacking energy: -555.822
Base-Backbone interact. energy: -2.635
local terms energy: -617.984639
where:
bonds (distance) C4'-P energy: -126.429
bonds (distance) P-C4' energy: -132.092
flat angles C4'-P-C4' energy: -136.817
flat angles P-C4'-P energy: -84.580
tors. eta vs tors. theta energy: -138.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1763.985520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.985520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.985520 (E_RNA)
where:
Base-Base interactions energy: -1186.086
where: short stacking energy: -526.525
Base-Backbone interact. energy: -1.803
local terms energy: -576.095698
where:
bonds (distance) C4'-P energy: -120.355
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -118.694
flat angles P-C4'-P energy: -78.217
tors. eta vs tors. theta energy: -138.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1788.746708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.746708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.746708 (E_RNA)
where:
Base-Base interactions energy: -1194.415
where: short stacking energy: -540.977
Base-Backbone interact. energy: 1.433
local terms energy: -595.764784
where:
bonds (distance) C4'-P energy: -99.157
bonds (distance) P-C4' energy: -104.270
flat angles C4'-P-C4' energy: -141.835
flat angles P-C4'-P energy: -83.790
tors. eta vs tors. theta energy: -166.712
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: 196
Temperature: 1.200000
Total energy: -1651.105737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.105737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.105737 (E_RNA)
where:
Base-Base interactions energy: -1120.693
where: short stacking energy: -492.250
Base-Backbone interact. energy: -2.121
local terms energy: -528.291743
where:
bonds (distance) C4'-P energy: -99.066
bonds (distance) P-C4' energy: -111.259
flat angles C4'-P-C4' energy: -118.156
flat angles P-C4'-P energy: -67.132
tors. eta vs tors. theta energy: -132.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1469.609926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.609926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.609926 (E_RNA)
where:
Base-Base interactions energy: -975.782
where: short stacking energy: -442.347
Base-Backbone interact. energy: -1.931
local terms energy: -491.896693
where:
bonds (distance) C4'-P energy: -100.214
bonds (distance) P-C4' energy: -92.361
flat angles C4'-P-C4' energy: -120.126
flat angles P-C4'-P energy: -63.603
tors. eta vs tors. theta energy: -115.593
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: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -803.193447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.193447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.193447 (E_RNA)
where:
Base-Base interactions energy: -379.212
where: short stacking energy: -220.436
Base-Backbone interact. energy: -2.145
local terms energy: -421.836175
where:
bonds (distance) C4'-P energy: -106.552
bonds (distance) P-C4' energy: -113.096
flat angles C4'-P-C4' energy: -112.807
flat angles P-C4'-P energy: -61.865
tors. eta vs tors. theta energy: -27.516
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: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -605.024366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.024366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.024366 (E_RNA)
where:
Base-Base interactions energy: -274.647
where: short stacking energy: -186.281
Base-Backbone interact. energy: 0.750
local terms energy: -331.127655
where:
bonds (distance) C4'-P energy: -107.266
bonds (distance) P-C4' energy: -90.506
flat angles C4'-P-C4' energy: -96.106
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: 24.162
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: 197
Temperature: 0.900000
Total energy: -2328.425840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.425840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.425840 (E_RNA)
where:
Base-Base interactions energy: -1610.732
where: short stacking energy: -672.971
Base-Backbone interact. energy: 3.684
local terms energy: -721.378572
where:
bonds (distance) C4'-P energy: -129.038
bonds (distance) P-C4' energy: -139.910
flat angles C4'-P-C4' energy: -150.742
flat angles P-C4'-P energy: -106.979
tors. eta vs tors. theta energy: -194.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2234.461986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.461986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.461986 (E_RNA)
where:
Base-Base interactions energy: -1532.021
where: short stacking energy: -646.536
Base-Backbone interact. energy: -5.747
local terms energy: -696.693951
where:
bonds (distance) C4'-P energy: -129.968
bonds (distance) P-C4' energy: -129.590
flat angles C4'-P-C4' energy: -151.841
flat angles P-C4'-P energy: -95.494
tors. eta vs tors. theta energy: -189.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2132.785769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.785769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.785769 (E_RNA)
where:
Base-Base interactions energy: -1479.884
where: short stacking energy: -632.466
Base-Backbone interact. energy: -2.222
local terms energy: -650.679058
where:
bonds (distance) C4'-P energy: -122.961
bonds (distance) P-C4' energy: -122.328
flat angles C4'-P-C4' energy: -141.359
flat angles P-C4'-P energy: -91.184
tors. eta vs tors. theta energy: -172.846
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: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1978.556997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.556997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.556997 (E_RNA)
where:
Base-Base interactions energy: -1365.809
where: short stacking energy: -583.731
Base-Backbone interact. energy: -0.439
local terms energy: -612.309696
where:
bonds (distance) C4'-P energy: -105.385
bonds (distance) P-C4' energy: -115.255
flat angles C4'-P-C4' energy: -150.584
flat angles P-C4'-P energy: -80.323
tors. eta vs tors. theta energy: -160.763
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: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1826.266798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.266798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.266798 (E_RNA)
where:
Base-Base interactions energy: -1235.557
where: short stacking energy: -530.196
Base-Backbone interact. energy: -0.317
local terms energy: -590.392432
where:
bonds (distance) C4'-P energy: -106.440
bonds (distance) P-C4' energy: -121.696
flat angles C4'-P-C4' energy: -138.429
flat angles P-C4'-P energy: -72.013
tors. eta vs tors. theta energy: -151.815
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: 197
Temperature: 1.150000
Total energy: -1738.935448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.935448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.935448 (E_RNA)
where:
Base-Base interactions energy: -1164.077
where: short stacking energy: -509.031
Base-Backbone interact. energy: -0.211
local terms energy: -574.647207
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -136.758
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -85.763
tors. eta vs tors. theta energy: -138.849
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: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1592.477476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.477476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.477476 (E_RNA)
where:
Base-Base interactions energy: -1041.320
where: short stacking energy: -457.417
Base-Backbone interact. energy: -2.434
local terms energy: -548.723584
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -117.544
flat angles C4'-P-C4' energy: -117.030
flat angles P-C4'-P energy: -96.608
tors. eta vs tors. theta energy: -103.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1448.425629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.425629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.425629 (E_RNA)
where:
Base-Base interactions energy: -992.805
where: short stacking energy: -446.501
Base-Backbone interact. energy: -1.656
local terms energy: -453.964939
where:
bonds (distance) C4'-P energy: -106.117
bonds (distance) P-C4' energy: -96.345
flat angles C4'-P-C4' energy: -103.813
flat angles P-C4'-P energy: -59.491
tors. eta vs tors. theta energy: -88.199
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: 197
Temperature: 1.300000
Total energy: -763.799076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.799076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.799076 (E_RNA)
where:
Base-Base interactions energy: -359.821
where: short stacking energy: -185.575
Base-Backbone interact. energy: 8.104
local terms energy: -412.082954
where:
bonds (distance) C4'-P energy: -121.580
bonds (distance) P-C4' energy: -126.831
flat angles C4'-P-C4' energy: -105.331
flat angles P-C4'-P energy: -70.364
tors. eta vs tors. theta energy: 12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -644.818476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.818476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.818476 (E_RNA)
where:
Base-Base interactions energy: -280.135
where: short stacking energy: -173.608
Base-Backbone interact. energy: 4.318
local terms energy: -369.001356
where:
bonds (distance) C4'-P energy: -91.182
bonds (distance) P-C4' energy: -120.741
flat angles C4'-P-C4' energy: -91.294
flat angles P-C4'-P energy: -66.318
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2361.887215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.887215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.887215 (E_RNA)
where:
Base-Base interactions energy: -1638.738
where: short stacking energy: -697.217
Base-Backbone interact. energy: -0.146
local terms energy: -723.003722
where:
bonds (distance) C4'-P energy: -127.054
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -160.809
flat angles P-C4'-P energy: -104.881
tors. eta vs tors. theta energy: -193.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2235.981729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.981729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.981729 (E_RNA)
where:
Base-Base interactions energy: -1568.080
where: short stacking energy: -656.793
Base-Backbone interact. energy: -1.191
local terms energy: -666.710548
where:
bonds (distance) C4'-P energy: -115.629
bonds (distance) P-C4' energy: -120.516
flat angles C4'-P-C4' energy: -151.935
flat angles P-C4'-P energy: -93.954
tors. eta vs tors. theta energy: -184.676
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: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2095.658926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.658926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.658926 (E_RNA)
where:
Base-Base interactions energy: -1444.781
where: short stacking energy: -585.906
Base-Backbone interact. energy: -4.283
local terms energy: -646.594672
where:
bonds (distance) C4'-P energy: -124.253
bonds (distance) P-C4' energy: -124.523
flat angles C4'-P-C4' energy: -145.766
flat angles P-C4'-P energy: -91.636
tors. eta vs tors. theta energy: -160.416
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: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1973.448237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.448237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.448237 (E_RNA)
where:
Base-Base interactions energy: -1397.059
where: short stacking energy: -568.010
Base-Backbone interact. energy: -6.615
local terms energy: -569.774430
where:
bonds (distance) C4'-P energy: -103.769
bonds (distance) P-C4' energy: -111.269
flat angles C4'-P-C4' energy: -132.570
flat angles P-C4'-P energy: -75.892
tors. eta vs tors. theta energy: -146.274
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: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1851.531400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.531400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.531400 (E_RNA)
where:
Base-Base interactions energy: -1239.954
where: short stacking energy: -574.355
Base-Backbone interact. energy: -3.874
local terms energy: -607.703026
where:
bonds (distance) C4'-P energy: -123.852
bonds (distance) P-C4' energy: -114.104
flat angles C4'-P-C4' energy: -142.450
flat angles P-C4'-P energy: -71.254
tors. eta vs tors. theta energy: -156.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1714.559200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.559200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.559200 (E_RNA)
where:
Base-Base interactions energy: -1139.638
where: short stacking energy: -513.284
Base-Backbone interact. energy: -2.261
local terms energy: -572.659902
where:
bonds (distance) C4'-P energy: -117.413
bonds (distance) P-C4' energy: -103.272
flat angles C4'-P-C4' energy: -127.011
flat angles P-C4'-P energy: -77.645
tors. eta vs tors. theta energy: -147.319
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: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1620.118482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.118482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.118482 (E_RNA)
where:
Base-Base interactions energy: -1086.753
where: short stacking energy: -457.188
Base-Backbone interact. energy: -0.338
local terms energy: -533.027299
where:
bonds (distance) C4'-P energy: -100.413
bonds (distance) P-C4' energy: -114.693
flat angles C4'-P-C4' energy: -131.544
flat angles P-C4'-P energy: -71.559
tors. eta vs tors. theta energy: -114.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1448.892833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.892833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.892833 (E_RNA)
where:
Base-Base interactions energy: -952.891
where: short stacking energy: -428.965
Base-Backbone interact. energy: 1.332
local terms energy: -497.333673
where:
bonds (distance) C4'-P energy: -111.825
bonds (distance) P-C4' energy: -89.646
flat angles C4'-P-C4' energy: -116.070
flat angles P-C4'-P energy: -80.515
tors. eta vs tors. theta energy: -99.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -776.371756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.371756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.371756 (E_RNA)
where:
Base-Base interactions energy: -380.558
where: short stacking energy: -250.753
Base-Backbone interact. energy: -1.455
local terms energy: -394.358554
where:
bonds (distance) C4'-P energy: -106.354
bonds (distance) P-C4' energy: -118.082
flat angles C4'-P-C4' energy: -108.656
flat angles P-C4'-P energy: -54.019
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -598.818532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.818532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.818532 (E_RNA)
where:
Base-Base interactions energy: -263.485
where: short stacking energy: -181.830
Base-Backbone interact. energy: 8.708
local terms energy: -344.041903
where:
bonds (distance) C4'-P energy: -95.917
bonds (distance) P-C4' energy: -119.768
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -55.560
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2326.827986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.827986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.827986 (E_RNA)
where:
Base-Base interactions energy: -1641.505
where: short stacking energy: -686.531
Base-Backbone interact. energy: 2.302
local terms energy: -687.625144
where:
bonds (distance) C4'-P energy: -125.524
bonds (distance) P-C4' energy: -129.340
flat angles C4'-P-C4' energy: -150.245
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -189.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2232.141413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.141413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.141413 (E_RNA)
where:
Base-Base interactions energy: -1540.920
where: short stacking energy: -638.989
Base-Backbone interact. energy: 0.035
local terms energy: -691.256493
where:
bonds (distance) C4'-P energy: -119.141
bonds (distance) P-C4' energy: -139.872
flat angles C4'-P-C4' energy: -154.968
flat angles P-C4'-P energy: -95.795
tors. eta vs tors. theta energy: -181.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2130.505197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.505197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.505197 (E_RNA)
where:
Base-Base interactions energy: -1469.300
where: short stacking energy: -623.244
Base-Backbone interact. energy: -2.406
local terms energy: -658.799439
where:
bonds (distance) C4'-P energy: -121.360
bonds (distance) P-C4' energy: -135.575
flat angles C4'-P-C4' energy: -146.045
flat angles P-C4'-P energy: -96.504
tors. eta vs tors. theta energy: -159.315
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: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1910.745321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.745321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.745321 (E_RNA)
where:
Base-Base interactions energy: -1294.641
where: short stacking energy: -563.962
Base-Backbone interact. energy: -2.306
local terms energy: -613.798683
where:
bonds (distance) C4'-P energy: -113.483
bonds (distance) P-C4' energy: -125.840
flat angles C4'-P-C4' energy: -140.665
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -150.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1835.455575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.455575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.455575 (E_RNA)
where:
Base-Base interactions energy: -1236.266
where: short stacking energy: -573.750
Base-Backbone interact. energy: 0.255
local terms energy: -599.443770
where:
bonds (distance) C4'-P energy: -113.581
bonds (distance) P-C4' energy: -104.286
flat angles C4'-P-C4' energy: -130.979
flat angles P-C4'-P energy: -92.444
tors. eta vs tors. theta energy: -158.153
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: 199
Temperature: 1.150000
Total energy: -1705.817134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.817134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.817134 (E_RNA)
where:
Base-Base interactions energy: -1137.395
where: short stacking energy: -522.757
Base-Backbone interact. energy: -1.653
local terms energy: -566.768645
where:
bonds (distance) C4'-P energy: -106.042
bonds (distance) P-C4' energy: -115.561
flat angles C4'-P-C4' energy: -128.371
flat angles P-C4'-P energy: -76.650
tors. eta vs tors. theta energy: -140.144
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: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1602.671346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.671346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.671346 (E_RNA)
where:
Base-Base interactions energy: -1049.747
where: short stacking energy: -485.712
Base-Backbone interact. energy: -3.705
local terms energy: -549.219358
where:
bonds (distance) C4'-P energy: -99.003
bonds (distance) P-C4' energy: -127.321
flat angles C4'-P-C4' energy: -121.935
flat angles P-C4'-P energy: -68.329
tors. eta vs tors. theta energy: -132.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1442.697252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.697252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.697252 (E_RNA)
where:
Base-Base interactions energy: -934.861
where: short stacking energy: -414.621
Base-Backbone interact. energy: -3.318
local terms energy: -504.518460
where:
bonds (distance) C4'-P energy: -118.633
bonds (distance) P-C4' energy: -126.327
flat angles C4'-P-C4' energy: -112.379
flat angles P-C4'-P energy: -59.932
tors. eta vs tors. theta energy: -87.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -844.035563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.035563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.035563 (E_RNA)
where:
Base-Base interactions energy: -449.631
where: short stacking energy: -283.865
Base-Backbone interact. energy: 0.017
local terms energy: -394.421059
where:
bonds (distance) C4'-P energy: -91.891
bonds (distance) P-C4' energy: -99.452
flat angles C4'-P-C4' energy: -105.955
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -38.217
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: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -594.560602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.560602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.560602 (E_RNA)
where:
Base-Base interactions energy: -264.646
where: short stacking energy: -176.651
Base-Backbone interact. energy: 4.976
local terms energy: -334.891051
where:
bonds (distance) C4'-P energy: -93.787
bonds (distance) P-C4' energy: -112.417
flat angles C4'-P-C4' energy: -105.352
flat angles P-C4'-P energy: -44.620
tors. eta vs tors. theta energy: 21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2307.372563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.372563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.372563 (E_RNA)
where:
Base-Base interactions energy: -1603.355
where: short stacking energy: -667.864
Base-Backbone interact. energy: 0.633
local terms energy: -704.651281
where:
bonds (distance) C4'-P energy: -127.569
bonds (distance) P-C4' energy: -134.315
flat angles C4'-P-C4' energy: -152.776
flat angles P-C4'-P energy: -100.163
tors. eta vs tors. theta energy: -189.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2227.292646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.292646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.292646 (E_RNA)
where:
Base-Base interactions energy: -1521.243
where: short stacking energy: -654.786
Base-Backbone interact. energy: -4.402
local terms energy: -701.647510
where:
bonds (distance) C4'-P energy: -135.022
bonds (distance) P-C4' energy: -130.999
flat angles C4'-P-C4' energy: -148.463
flat angles P-C4'-P energy: -105.357
tors. eta vs tors. theta energy: -181.807
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: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2134.929197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.929197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.929197 (E_RNA)
where:
Base-Base interactions energy: -1484.959
where: short stacking energy: -619.388
Base-Backbone interact. energy: 3.836
local terms energy: -653.806223
where:
bonds (distance) C4'-P energy: -126.085
bonds (distance) P-C4' energy: -137.223
flat angles C4'-P-C4' energy: -144.748
flat angles P-C4'-P energy: -77.289
tors. eta vs tors. theta energy: -168.461
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: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1956.191021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.191021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.191021 (E_RNA)
where:
Base-Base interactions energy: -1337.948
where: short stacking energy: -589.088
Base-Backbone interact. energy: 1.720
local terms energy: -619.963669
where:
bonds (distance) C4'-P energy: -125.069
bonds (distance) P-C4' energy: -132.109
flat angles C4'-P-C4' energy: -121.690
flat angles P-C4'-P energy: -80.630
tors. eta vs tors. theta energy: -160.466
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: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1802.076768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.076768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.076768 (E_RNA)
where:
Base-Base interactions energy: -1217.346
where: short stacking energy: -532.105
Base-Backbone interact. energy: -2.082
local terms energy: -582.648932
where:
bonds (distance) C4'-P energy: -100.076
bonds (distance) P-C4' energy: -119.656
flat angles C4'-P-C4' energy: -131.571
flat angles P-C4'-P energy: -69.954
tors. eta vs tors. theta energy: -161.392
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: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1711.925318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.925318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.925318 (E_RNA)
where:
Base-Base interactions energy: -1102.964
where: short stacking energy: -508.039
Base-Backbone interact. energy: -1.448
local terms energy: -607.513385
where:
bonds (distance) C4'-P energy: -118.192
bonds (distance) P-C4' energy: -126.330
flat angles C4'-P-C4' energy: -146.830
flat angles P-C4'-P energy: -80.256
tors. eta vs tors. theta energy: -135.905
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: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1607.623398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.623398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.623398 (E_RNA)
where:
Base-Base interactions energy: -1077.663
where: short stacking energy: -495.711
Base-Backbone interact. energy: -0.435
local terms energy: -529.524853
where:
bonds (distance) C4'-P energy: -113.869
bonds (distance) P-C4' energy: -93.546
flat angles C4'-P-C4' energy: -130.127
flat angles P-C4'-P energy: -78.158
tors. eta vs tors. theta energy: -113.825
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: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1412.496065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.496065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.496065 (E_RNA)
where:
Base-Base interactions energy: -943.170
where: short stacking energy: -423.917
Base-Backbone interact. energy: 2.709
local terms energy: -472.035584
where:
bonds (distance) C4'-P energy: -85.473
bonds (distance) P-C4' energy: -106.631
flat angles C4'-P-C4' energy: -126.855
flat angles P-C4'-P energy: -56.806
tors. eta vs tors. theta energy: -96.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -807.710442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.710442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.710442 (E_RNA)
where:
Base-Base interactions energy: -433.090
where: short stacking energy: -243.075
Base-Backbone interact. energy: 6.821
local terms energy: -381.442109
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -99.581
flat angles C4'-P-C4' energy: -105.391
flat angles P-C4'-P energy: -59.753
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -598.675013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.675013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.675013 (E_RNA)
where:
Base-Base interactions energy: -267.105
where: short stacking energy: -152.227
Base-Backbone interact. energy: -3.636
local terms energy: -327.934424
where:
bonds (distance) C4'-P energy: -105.843
bonds (distance) P-C4' energy: -91.615
flat angles C4'-P-C4' energy: -89.110
flat angles P-C4'-P energy: -54.103
tors. eta vs tors. theta energy: 12.737
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: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2316.414746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.414746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.414746 (E_RNA)
where:
Base-Base interactions energy: -1601.694
where: short stacking energy: -688.053
Base-Backbone interact. energy: -3.064
local terms energy: -711.656930
where:
bonds (distance) C4'-P energy: -127.729
bonds (distance) P-C4' energy: -135.851
flat angles C4'-P-C4' energy: -164.034
flat angles P-C4'-P energy: -87.658
tors. eta vs tors. theta energy: -196.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2212.612460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.612460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.612460 (E_RNA)
where:
Base-Base interactions energy: -1541.659
where: short stacking energy: -632.005
Base-Backbone interact. energy: -3.567
local terms energy: -667.386789
where:
bonds (distance) C4'-P energy: -129.880
bonds (distance) P-C4' energy: -116.224
flat angles C4'-P-C4' energy: -140.080
flat angles P-C4'-P energy: -92.913
tors. eta vs tors. theta energy: -188.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2084.273469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.273469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.273469 (E_RNA)
where:
Base-Base interactions energy: -1447.352
where: short stacking energy: -612.492
Base-Backbone interact. energy: 0.025
local terms energy: -636.946367
where:
bonds (distance) C4'-P energy: -129.986
bonds (distance) P-C4' energy: -127.270
flat angles C4'-P-C4' energy: -128.301
flat angles P-C4'-P energy: -87.204
tors. eta vs tors. theta energy: -164.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1950.586880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.586880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.586880 (E_RNA)
where:
Base-Base interactions energy: -1320.563
where: short stacking energy: -567.979
Base-Backbone interact. energy: -0.303
local terms energy: -629.721270
where:
bonds (distance) C4'-P energy: -107.083
bonds (distance) P-C4' energy: -130.944
flat angles C4'-P-C4' energy: -142.537
flat angles P-C4'-P energy: -99.775
tors. eta vs tors. theta energy: -149.384
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: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1837.318344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.318344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.318344 (E_RNA)
where:
Base-Base interactions energy: -1233.364
where: short stacking energy: -514.858
Base-Backbone interact. energy: -2.361
local terms energy: -601.593029
where:
bonds (distance) C4'-P energy: -120.057
bonds (distance) P-C4' energy: -108.808
flat angles C4'-P-C4' energy: -131.228
flat angles P-C4'-P energy: -92.308
tors. eta vs tors. theta energy: -149.193
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: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1724.584745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.584745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.584745 (E_RNA)
where:
Base-Base interactions energy: -1187.974
where: short stacking energy: -506.141
Base-Backbone interact. energy: 0.897
local terms energy: -537.508399
where:
bonds (distance) C4'-P energy: -101.645
bonds (distance) P-C4' energy: -112.908
flat angles C4'-P-C4' energy: -113.886
flat angles P-C4'-P energy: -71.250
tors. eta vs tors. theta energy: -137.819
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: 201
Temperature: 1.200000
Total energy: -1605.235301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.235301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.235301 (E_RNA)
where:
Base-Base interactions energy: -1094.185
where: short stacking energy: -470.419
Base-Backbone interact. energy: 0.093
local terms energy: -511.142621
where:
bonds (distance) C4'-P energy: -103.895
bonds (distance) P-C4' energy: -104.259
flat angles C4'-P-C4' energy: -118.258
flat angles P-C4'-P energy: -67.204
tors. eta vs tors. theta energy: -117.526
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: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1421.484061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.484061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.484061 (E_RNA)
where:
Base-Base interactions energy: -908.824
where: short stacking energy: -409.887
Base-Backbone interact. energy: 0.870
local terms energy: -513.530735
where:
bonds (distance) C4'-P energy: -117.160
bonds (distance) P-C4' energy: -101.518
flat angles C4'-P-C4' energy: -121.157
flat angles P-C4'-P energy: -81.269
tors. eta vs tors. theta energy: -92.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -809.013193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.013193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.013193 (E_RNA)
where:
Base-Base interactions energy: -424.224
where: short stacking energy: -240.945
Base-Backbone interact. energy: -2.810
local terms energy: -381.978629
where:
bonds (distance) C4'-P energy: -74.284
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -111.145
flat angles P-C4'-P energy: -53.547
tors. eta vs tors. theta energy: -20.244
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: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -602.018605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.018605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.018605 (E_RNA)
where:
Base-Base interactions energy: -258.368
where: short stacking energy: -166.439
Base-Backbone interact. energy: 7.609
local terms energy: -351.259823
where:
bonds (distance) C4'-P energy: -102.302
bonds (distance) P-C4' energy: -132.685
flat angles C4'-P-C4' energy: -77.322
flat angles P-C4'-P energy: -55.308
tors. eta vs tors. theta energy: 16.357
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: 202
Temperature: 0.900000
Total energy: -2310.018391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.018391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.018391 (E_RNA)
where:
Base-Base interactions energy: -1607.743
where: short stacking energy: -676.852
Base-Backbone interact. energy: -4.670
local terms energy: -697.605495
where:
bonds (distance) C4'-P energy: -123.515
bonds (distance) P-C4' energy: -130.959
flat angles C4'-P-C4' energy: -146.493
flat angles P-C4'-P energy: -99.347
tors. eta vs tors. theta energy: -197.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2238.889996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.889996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.889996 (E_RNA)
where:
Base-Base interactions energy: -1538.309
where: short stacking energy: -654.295
Base-Backbone interact. energy: -4.474
local terms energy: -696.106445
where:
bonds (distance) C4'-P energy: -116.532
bonds (distance) P-C4' energy: -140.348
flat angles C4'-P-C4' energy: -158.639
flat angles P-C4'-P energy: -93.112
tors. eta vs tors. theta energy: -187.476
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: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2116.742410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.742410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.742410 (E_RNA)
where:
Base-Base interactions energy: -1474.861
where: short stacking energy: -608.784
Base-Backbone interact. energy: -0.107
local terms energy: -641.774736
where:
bonds (distance) C4'-P energy: -120.741
bonds (distance) P-C4' energy: -129.391
flat angles C4'-P-C4' energy: -143.805
flat angles P-C4'-P energy: -83.971
tors. eta vs tors. theta energy: -163.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1958.356203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.356203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.356203 (E_RNA)
where:
Base-Base interactions energy: -1314.179
where: short stacking energy: -569.271
Base-Backbone interact. energy: -6.111
local terms energy: -638.066069
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -132.627
flat angles C4'-P-C4' energy: -141.228
flat angles P-C4'-P energy: -94.618
tors. eta vs tors. theta energy: -154.538
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: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1857.717399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.717399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.717399 (E_RNA)
where:
Base-Base interactions energy: -1237.180
where: short stacking energy: -535.630
Base-Backbone interact. energy: 1.681
local terms energy: -622.217900
where:
bonds (distance) C4'-P energy: -132.134
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -89.012
tors. eta vs tors. theta energy: -149.359
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: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1679.881350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.881350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.881350 (E_RNA)
where:
Base-Base interactions energy: -1131.935
where: short stacking energy: -494.155
Base-Backbone interact. energy: -0.195
local terms energy: -547.751802
where:
bonds (distance) C4'-P energy: -114.586
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -126.099
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -139.009
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: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1564.108533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.108533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.108533 (E_RNA)
where:
Base-Base interactions energy: -1018.358
where: short stacking energy: -445.670
Base-Backbone interact. energy: -1.961
local terms energy: -543.789533
where:
bonds (distance) C4'-P energy: -109.608
bonds (distance) P-C4' energy: -121.291
flat angles C4'-P-C4' energy: -112.144
flat angles P-C4'-P energy: -87.492
tors. eta vs tors. theta energy: -113.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1438.793172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.793172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.793172 (E_RNA)
where:
Base-Base interactions energy: -909.925
where: short stacking energy: -425.323
Base-Backbone interact. energy: -3.649
local terms energy: -525.218774
where:
bonds (distance) C4'-P energy: -113.982
bonds (distance) P-C4' energy: -113.030
flat angles C4'-P-C4' energy: -123.587
flat angles P-C4'-P energy: -87.910
tors. eta vs tors. theta energy: -86.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -824.101300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.101300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.101300 (E_RNA)
where:
Base-Base interactions energy: -406.712
where: short stacking energy: -227.629
Base-Backbone interact. energy: -1.917
local terms energy: -415.471714
where:
bonds (distance) C4'-P energy: -86.700
bonds (distance) P-C4' energy: -116.139
flat angles C4'-P-C4' energy: -117.162
flat angles P-C4'-P energy: -71.422
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -659.503388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.503388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.503388 (E_RNA)
where:
Base-Base interactions energy: -330.074
where: short stacking energy: -166.721
Base-Backbone interact. energy: 0.837
local terms energy: -330.266890
where:
bonds (distance) C4'-P energy: -88.251
bonds (distance) P-C4' energy: -113.545
flat angles C4'-P-C4' energy: -99.058
flat angles P-C4'-P energy: -45.258
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: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2329.604545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.604545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.604545 (E_RNA)
where:
Base-Base interactions energy: -1620.320
where: short stacking energy: -668.435
Base-Backbone interact. energy: -1.006
local terms energy: -708.279321
where:
bonds (distance) C4'-P energy: -126.839
bonds (distance) P-C4' energy: -129.502
flat angles C4'-P-C4' energy: -160.880
flat angles P-C4'-P energy: -95.220
tors. eta vs tors. theta energy: -195.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2218.706674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.706674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.706674 (E_RNA)
where:
Base-Base interactions energy: -1532.031
where: short stacking energy: -639.269
Base-Backbone interact. energy: -2.680
local terms energy: -683.996145
where:
bonds (distance) C4'-P energy: -114.990
bonds (distance) P-C4' energy: -146.717
flat angles C4'-P-C4' energy: -148.472
flat angles P-C4'-P energy: -89.364
tors. eta vs tors. theta energy: -184.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2116.055498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.055498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.055498 (E_RNA)
where:
Base-Base interactions energy: -1465.776
where: short stacking energy: -616.764
Base-Backbone interact. energy: -0.162
local terms energy: -650.118021
where:
bonds (distance) C4'-P energy: -112.181
bonds (distance) P-C4' energy: -128.156
flat angles C4'-P-C4' energy: -135.695
flat angles P-C4'-P energy: -95.505
tors. eta vs tors. theta energy: -178.581
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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1960.208846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.208846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.208846 (E_RNA)
where:
Base-Base interactions energy: -1368.066
where: short stacking energy: -582.352
Base-Backbone interact. energy: -1.743
local terms energy: -590.400254
where:
bonds (distance) C4'-P energy: -106.396
bonds (distance) P-C4' energy: -123.194
flat angles C4'-P-C4' energy: -133.941
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -148.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1838.604989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.604989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.604989 (E_RNA)
where:
Base-Base interactions energy: -1235.200
where: short stacking energy: -553.309
Base-Backbone interact. energy: -0.788
local terms energy: -602.617709
where:
bonds (distance) C4'-P energy: -115.777
bonds (distance) P-C4' energy: -115.870
flat angles C4'-P-C4' energy: -126.587
flat angles P-C4'-P energy: -95.972
tors. eta vs tors. theta energy: -148.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1720.959831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.959831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.959831 (E_RNA)
where:
Base-Base interactions energy: -1154.203
where: short stacking energy: -500.271
Base-Backbone interact. energy: -1.580
local terms energy: -565.176690
where:
bonds (distance) C4'-P energy: -112.311
bonds (distance) P-C4' energy: -104.905
flat angles C4'-P-C4' energy: -132.714
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -140.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1616.848592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.848592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.848592 (E_RNA)
where:
Base-Base interactions energy: -1070.889
where: short stacking energy: -490.947
Base-Backbone interact. energy: -3.265
local terms energy: -542.694691
where:
bonds (distance) C4'-P energy: -93.137
bonds (distance) P-C4' energy: -111.581
flat angles C4'-P-C4' energy: -133.239
flat angles P-C4'-P energy: -84.022
tors. eta vs tors. theta energy: -120.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1410.510645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.510645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.510645 (E_RNA)
where:
Base-Base interactions energy: -892.771
where: short stacking energy: -400.312
Base-Backbone interact. energy: -2.412
local terms energy: -515.327507
where:
bonds (distance) C4'-P energy: -108.724
bonds (distance) P-C4' energy: -125.344
flat angles C4'-P-C4' energy: -122.650
flat angles P-C4'-P energy: -70.332
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: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -870.163568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.163568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.163568 (E_RNA)
where:
Base-Base interactions energy: -467.882
where: short stacking energy: -252.848
Base-Backbone interact. energy: -1.284
local terms energy: -400.997405
where:
bonds (distance) C4'-P energy: -108.230
bonds (distance) P-C4' energy: -113.122
flat angles C4'-P-C4' energy: -95.476
flat angles P-C4'-P energy: -60.642
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -684.667643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.667643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.667643 (E_RNA)
where:
Base-Base interactions energy: -346.124
where: short stacking energy: -205.383
Base-Backbone interact. energy: -0.728
local terms energy: -337.815271
where:
bonds (distance) C4'-P energy: -98.681
bonds (distance) P-C4' energy: -107.263
flat angles C4'-P-C4' energy: -85.895
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: 3.116
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: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2296.255604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.255604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.255604 (E_RNA)
where:
Base-Base interactions energy: -1609.376
where: short stacking energy: -650.125
Base-Backbone interact. energy: -1.287
local terms energy: -685.592687
where:
bonds (distance) C4'-P energy: -115.980
bonds (distance) P-C4' energy: -137.632
flat angles C4'-P-C4' energy: -152.601
flat angles P-C4'-P energy: -88.768
tors. eta vs tors. theta energy: -190.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2233.740053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.740053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.740053 (E_RNA)
where:
Base-Base interactions energy: -1518.634
where: short stacking energy: -648.990
Base-Backbone interact. energy: -1.714
local terms energy: -713.391967
where:
bonds (distance) C4'-P energy: -133.050
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -153.635
flat angles P-C4'-P energy: -102.189
tors. eta vs tors. theta energy: -192.537
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2137.992259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.992259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.992259 (E_RNA)
where:
Base-Base interactions energy: -1480.765
where: short stacking energy: -651.095
Base-Backbone interact. energy: -1.901
local terms energy: -655.326700
where:
bonds (distance) C4'-P energy: -120.981
bonds (distance) P-C4' energy: -134.610
flat angles C4'-P-C4' energy: -151.778
flat angles P-C4'-P energy: -75.558
tors. eta vs tors. theta energy: -172.400
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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1964.308115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.308115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.308115 (E_RNA)
where:
Base-Base interactions energy: -1351.966
where: short stacking energy: -598.828
Base-Backbone interact. energy: -0.845
local terms energy: -611.496901
where:
bonds (distance) C4'-P energy: -119.635
bonds (distance) P-C4' energy: -119.742
flat angles C4'-P-C4' energy: -132.585
flat angles P-C4'-P energy: -81.511
tors. eta vs tors. theta energy: -158.023
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: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1865.440639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.440639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.440639 (E_RNA)
where:
Base-Base interactions energy: -1223.357
where: short stacking energy: -542.377
Base-Backbone interact. energy: 0.636
local terms energy: -642.719564
where:
bonds (distance) C4'-P energy: -121.956
bonds (distance) P-C4' energy: -130.682
flat angles C4'-P-C4' energy: -141.996
flat angles P-C4'-P energy: -90.470
tors. eta vs tors. theta energy: -157.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1737.963947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.963947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.963947 (E_RNA)
where:
Base-Base interactions energy: -1167.186
where: short stacking energy: -531.559
Base-Backbone interact. energy: -0.930
local terms energy: -569.848322
where:
bonds (distance) C4'-P energy: -113.272
bonds (distance) P-C4' energy: -108.089
flat angles C4'-P-C4' energy: -133.756
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -132.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1590.821984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.821984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.821984 (E_RNA)
where:
Base-Base interactions energy: -1086.617
where: short stacking energy: -462.974
Base-Backbone interact. energy: 1.502
local terms energy: -505.706488
where:
bonds (distance) C4'-P energy: -90.256
bonds (distance) P-C4' energy: -126.461
flat angles C4'-P-C4' energy: -99.831
flat angles P-C4'-P energy: -77.811
tors. eta vs tors. theta energy: -111.347
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1380.506637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.506637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.506637 (E_RNA)
where:
Base-Base interactions energy: -872.621
where: short stacking energy: -404.669
Base-Backbone interact. energy: -0.941
local terms energy: -506.945349
where:
bonds (distance) C4'-P energy: -102.257
bonds (distance) P-C4' energy: -113.047
flat angles C4'-P-C4' energy: -114.188
flat angles P-C4'-P energy: -90.890
tors. eta vs tors. theta energy: -86.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -778.574336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.574336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.574336 (E_RNA)
where:
Base-Base interactions energy: -371.125
where: short stacking energy: -250.920
Base-Backbone interact. energy: 7.669
local terms energy: -415.118121
where:
bonds (distance) C4'-P energy: -118.725
bonds (distance) P-C4' energy: -121.132
flat angles C4'-P-C4' energy: -111.434
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -807.772702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.772702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.772702 (E_RNA)
where:
Base-Base interactions energy: -455.091
where: short stacking energy: -235.624
Base-Backbone interact. energy: 1.779
local terms energy: -354.461228
where:
bonds (distance) C4'-P energy: -107.862
bonds (distance) P-C4' energy: -100.183
flat angles C4'-P-C4' energy: -109.448
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: 4.374
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: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2297.167834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.167834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.167834 (E_RNA)
where:
Base-Base interactions energy: -1607.888
where: short stacking energy: -668.370
Base-Backbone interact. energy: -4.851
local terms energy: -684.428850
where:
bonds (distance) C4'-P energy: -135.318
bonds (distance) P-C4' energy: -137.991
flat angles C4'-P-C4' energy: -141.745
flat angles P-C4'-P energy: -83.397
tors. eta vs tors. theta energy: -185.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2250.828771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.828771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.828771 (E_RNA)
where:
Base-Base interactions energy: -1540.044
where: short stacking energy: -653.130
Base-Backbone interact. energy: -1.076
local terms energy: -709.707798
where:
bonds (distance) C4'-P energy: -135.330
bonds (distance) P-C4' energy: -132.801
flat angles C4'-P-C4' energy: -154.969
flat angles P-C4'-P energy: -87.751
tors. eta vs tors. theta energy: -198.857
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: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2118.137401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.137401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.137401 (E_RNA)
where:
Base-Base interactions energy: -1465.700
where: short stacking energy: -621.679
Base-Backbone interact. energy: -1.983
local terms energy: -650.454184
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -135.327
flat angles C4'-P-C4' energy: -133.446
flat angles P-C4'-P energy: -89.230
tors. eta vs tors. theta energy: -181.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1959.085968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.085968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.085968 (E_RNA)
where:
Base-Base interactions energy: -1339.251
where: short stacking energy: -552.755
Base-Backbone interact. energy: -2.690
local terms energy: -617.145216
where:
bonds (distance) C4'-P energy: -118.290
bonds (distance) P-C4' energy: -137.050
flat angles C4'-P-C4' energy: -141.290
flat angles P-C4'-P energy: -83.274
tors. eta vs tors. theta energy: -137.242
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: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1871.598064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.598064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.598064 (E_RNA)
where:
Base-Base interactions energy: -1264.138
where: short stacking energy: -554.169
Base-Backbone interact. energy: -0.507
local terms energy: -606.952780
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -115.910
flat angles C4'-P-C4' energy: -135.728
flat angles P-C4'-P energy: -81.669
tors. eta vs tors. theta energy: -162.232
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: 205
Temperature: 1.150000
Total energy: -1821.129031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.129031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.129031 (E_RNA)
where:
Base-Base interactions energy: -1208.353
where: short stacking energy: -554.367
Base-Backbone interact. energy: -0.720
local terms energy: -612.055828
where:
bonds (distance) C4'-P energy: -115.032
bonds (distance) P-C4' energy: -126.623
flat angles C4'-P-C4' energy: -138.252
flat angles P-C4'-P energy: -80.895
tors. eta vs tors. theta energy: -151.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1565.430929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.430929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.430929 (E_RNA)
where:
Base-Base interactions energy: -1026.877
where: short stacking energy: -464.397
Base-Backbone interact. energy: -1.290
local terms energy: -537.264685
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -98.370
flat angles C4'-P-C4' energy: -134.303
flat angles P-C4'-P energy: -78.868
tors. eta vs tors. theta energy: -123.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1382.263724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.263724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.263724 (E_RNA)
where:
Base-Base interactions energy: -902.648
where: short stacking energy: -390.124
Base-Backbone interact. energy: 0.801
local terms energy: -480.417123
where:
bonds (distance) C4'-P energy: -116.947
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -94.779
flat angles P-C4'-P energy: -84.347
tors. eta vs tors. theta energy: -86.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -764.287523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.287523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.287523 (E_RNA)
where:
Base-Base interactions energy: -380.660
where: short stacking energy: -220.245
Base-Backbone interact. energy: -2.549
local terms energy: -381.078966
where:
bonds (distance) C4'-P energy: -98.888
bonds (distance) P-C4' energy: -117.725
flat angles C4'-P-C4' energy: -128.614
flat angles P-C4'-P energy: -43.347
tors. eta vs tors. theta energy: 7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -784.835264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.835264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.835264 (E_RNA)
where:
Base-Base interactions energy: -443.568
where: short stacking energy: -224.256
Base-Backbone interact. energy: 5.152
local terms energy: -346.419098
where:
bonds (distance) C4'-P energy: -99.524
bonds (distance) P-C4' energy: -116.481
flat angles C4'-P-C4' energy: -84.525
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -5.353
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: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2327.639633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.639633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.639633 (E_RNA)
where:
Base-Base interactions energy: -1615.720
where: short stacking energy: -671.962
Base-Backbone interact. energy: -6.950
local terms energy: -704.970482
where:
bonds (distance) C4'-P energy: -131.716
bonds (distance) P-C4' energy: -139.131
flat angles C4'-P-C4' energy: -141.264
flat angles P-C4'-P energy: -97.645
tors. eta vs tors. theta energy: -195.215
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: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2231.144858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.144858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.144858 (E_RNA)
where:
Base-Base interactions energy: -1540.773
where: short stacking energy: -622.381
Base-Backbone interact. energy: -0.095
local terms energy: -690.277430
where:
bonds (distance) C4'-P energy: -126.480
bonds (distance) P-C4' energy: -135.220
flat angles C4'-P-C4' energy: -146.413
flat angles P-C4'-P energy: -92.933
tors. eta vs tors. theta energy: -189.232
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: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2122.861382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.861382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.861382 (E_RNA)
where:
Base-Base interactions energy: -1446.416
where: short stacking energy: -618.198
Base-Backbone interact. energy: -1.628
local terms energy: -674.817851
where:
bonds (distance) C4'-P energy: -132.520
bonds (distance) P-C4' energy: -124.732
flat angles C4'-P-C4' energy: -144.422
flat angles P-C4'-P energy: -95.166
tors. eta vs tors. theta energy: -177.977
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: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2008.233147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.233147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.233147 (E_RNA)
where:
Base-Base interactions energy: -1395.447
where: short stacking energy: -612.179
Base-Backbone interact. energy: 1.230
local terms energy: -614.016006
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -115.529
flat angles C4'-P-C4' energy: -140.256
flat angles P-C4'-P energy: -87.778
tors. eta vs tors. theta energy: -152.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1883.605403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.605403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.605403 (E_RNA)
where:
Base-Base interactions energy: -1283.755
where: short stacking energy: -572.850
Base-Backbone interact. energy: -2.271
local terms energy: -597.579056
where:
bonds (distance) C4'-P energy: -104.601
bonds (distance) P-C4' energy: -132.317
flat angles C4'-P-C4' energy: -125.522
flat angles P-C4'-P energy: -88.150
tors. eta vs tors. theta energy: -146.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1710.287145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.287145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.287145 (E_RNA)
where:
Base-Base interactions energy: -1147.822
where: short stacking energy: -508.531
Base-Backbone interact. energy: -0.078
local terms energy: -562.386673
where:
bonds (distance) C4'-P energy: -130.140
bonds (distance) P-C4' energy: -103.681
flat angles C4'-P-C4' energy: -126.505
flat angles P-C4'-P energy: -77.688
tors. eta vs tors. theta energy: -124.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1555.208789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.208789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.208789 (E_RNA)
where:
Base-Base interactions energy: -1025.422
where: short stacking energy: -457.715
Base-Backbone interact. energy: 1.162
local terms energy: -530.948939
where:
bonds (distance) C4'-P energy: -107.923
bonds (distance) P-C4' energy: -122.568
flat angles C4'-P-C4' energy: -107.578
flat angles P-C4'-P energy: -78.810
tors. eta vs tors. theta energy: -114.070
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: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1426.954605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.954605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.954605 (E_RNA)
where:
Base-Base interactions energy: -944.989
where: short stacking energy: -393.833
Base-Backbone interact. energy: -0.855
local terms energy: -481.110918
where:
bonds (distance) C4'-P energy: -103.770
bonds (distance) P-C4' energy: -114.699
flat angles C4'-P-C4' energy: -120.715
flat angles P-C4'-P energy: -63.725
tors. eta vs tors. theta energy: -78.202
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: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -797.673608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.673608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.673608 (E_RNA)
where:
Base-Base interactions energy: -428.547
where: short stacking energy: -217.136
Base-Backbone interact. energy: -2.363
local terms energy: -366.763228
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -111.225
flat angles C4'-P-C4' energy: -94.716
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -745.226499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.226499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.226499 (E_RNA)
where:
Base-Base interactions energy: -395.789
where: short stacking energy: -216.578
Base-Backbone interact. energy: 2.008
local terms energy: -351.445496
where:
bonds (distance) C4'-P energy: -109.613
bonds (distance) P-C4' energy: -119.740
flat angles C4'-P-C4' energy: -81.653
flat angles P-C4'-P energy: -44.308
tors. eta vs tors. theta energy: 3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2347.479265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.479265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.479265 (E_RNA)
where:
Base-Base interactions energy: -1631.824
where: short stacking energy: -664.519
Base-Backbone interact. energy: -6.078
local terms energy: -709.577710
where:
bonds (distance) C4'-P energy: -130.712
bonds (distance) P-C4' energy: -131.766
flat angles C4'-P-C4' energy: -157.156
flat angles P-C4'-P energy: -89.890
tors. eta vs tors. theta energy: -200.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2205.507601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.507601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.507601 (E_RNA)
where:
Base-Base interactions energy: -1511.654
where: short stacking energy: -639.626
Base-Backbone interact. energy: -1.115
local terms energy: -692.738462
where:
bonds (distance) C4'-P energy: -126.280
bonds (distance) P-C4' energy: -134.370
flat angles C4'-P-C4' energy: -142.580
flat angles P-C4'-P energy: -106.124
tors. eta vs tors. theta energy: -183.385
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: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2138.451138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.451138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.451138 (E_RNA)
where:
Base-Base interactions energy: -1501.988
where: short stacking energy: -627.662
Base-Backbone interact. energy: -4.293
local terms energy: -632.169683
where:
bonds (distance) C4'-P energy: -100.147
bonds (distance) P-C4' energy: -127.074
flat angles C4'-P-C4' energy: -136.573
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -188.856
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: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1989.025497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.025497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.025497 (E_RNA)
where:
Base-Base interactions energy: -1380.529
where: short stacking energy: -568.250
Base-Backbone interact. energy: -1.948
local terms energy: -606.548564
where:
bonds (distance) C4'-P energy: -120.105
bonds (distance) P-C4' energy: -126.399
flat angles C4'-P-C4' energy: -132.288
flat angles P-C4'-P energy: -86.727
tors. eta vs tors. theta energy: -141.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1902.297061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.297061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.297061 (E_RNA)
where:
Base-Base interactions energy: -1309.799
where: short stacking energy: -565.593
Base-Backbone interact. energy: -3.977
local terms energy: -588.520853
where:
bonds (distance) C4'-P energy: -116.877
bonds (distance) P-C4' energy: -102.365
flat angles C4'-P-C4' energy: -128.423
flat angles P-C4'-P energy: -80.091
tors. eta vs tors. theta energy: -160.765
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: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1679.048095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.048095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.048095 (E_RNA)
where:
Base-Base interactions energy: -1086.348
where: short stacking energy: -493.479
Base-Backbone interact. energy: -0.990
local terms energy: -591.710252
where:
bonds (distance) C4'-P energy: -112.371
bonds (distance) P-C4' energy: -121.819
flat angles C4'-P-C4' energy: -131.595
flat angles P-C4'-P energy: -84.735
tors. eta vs tors. theta energy: -141.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1548.249391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.249391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.249391 (E_RNA)
where:
Base-Base interactions energy: -1007.478
where: short stacking energy: -476.193
Base-Backbone interact. energy: 0.490
local terms energy: -541.261070
where:
bonds (distance) C4'-P energy: -104.144
bonds (distance) P-C4' energy: -118.402
flat angles C4'-P-C4' energy: -112.123
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -125.664
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: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1413.225072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.225072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.225072 (E_RNA)
where:
Base-Base interactions energy: -963.891
where: short stacking energy: -399.001
Base-Backbone interact. energy: -0.420
local terms energy: -448.914071
where:
bonds (distance) C4'-P energy: -83.947
bonds (distance) P-C4' energy: -94.332
flat angles C4'-P-C4' energy: -120.252
flat angles P-C4'-P energy: -72.056
tors. eta vs tors. theta energy: -78.328
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: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -825.752285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.752285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.752285 (E_RNA)
where:
Base-Base interactions energy: -413.244
where: short stacking energy: -222.311
Base-Backbone interact. energy: 0.565
local terms energy: -413.073156
where:
bonds (distance) C4'-P energy: -112.426
bonds (distance) P-C4' energy: -124.229
flat angles C4'-P-C4' energy: -114.478
flat angles P-C4'-P energy: -53.368
tors. eta vs tors. theta energy: -8.572
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: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -679.564568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.564568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.564568 (E_RNA)
where:
Base-Base interactions energy: -325.909
where: short stacking energy: -179.407
Base-Backbone interact. energy: -2.143
local terms energy: -351.512264
where:
bonds (distance) C4'-P energy: -111.294
bonds (distance) P-C4' energy: -103.240
flat angles C4'-P-C4' energy: -96.518
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: 4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2311.503646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.503646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.503646 (E_RNA)
where:
Base-Base interactions energy: -1604.668
where: short stacking energy: -678.367
Base-Backbone interact. energy: -0.422
local terms energy: -706.414288
where:
bonds (distance) C4'-P energy: -143.024
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -145.552
flat angles P-C4'-P energy: -104.472
tors. eta vs tors. theta energy: -190.770
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: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2222.343982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.343982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.343982 (E_RNA)
where:
Base-Base interactions energy: -1539.247
where: short stacking energy: -664.331
Base-Backbone interact. energy: -0.940
local terms energy: -682.157486
where:
bonds (distance) C4'-P energy: -121.060
bonds (distance) P-C4' energy: -126.901
flat angles C4'-P-C4' energy: -156.281
flat angles P-C4'-P energy: -90.754
tors. eta vs tors. theta energy: -187.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2175.788835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.788835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.788835 (E_RNA)
where:
Base-Base interactions energy: -1527.173
where: short stacking energy: -627.325
Base-Backbone interact. energy: -4.349
local terms energy: -644.266775
where:
bonds (distance) C4'-P energy: -102.196
bonds (distance) P-C4' energy: -133.664
flat angles C4'-P-C4' energy: -138.619
flat angles P-C4'-P energy: -94.133
tors. eta vs tors. theta energy: -175.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2010.558035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.558035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.558035 (E_RNA)
where:
Base-Base interactions energy: -1379.381
where: short stacking energy: -593.233
Base-Backbone interact. energy: -1.163
local terms energy: -630.013670
where:
bonds (distance) C4'-P energy: -119.195
bonds (distance) P-C4' energy: -119.556
flat angles C4'-P-C4' energy: -141.377
flat angles P-C4'-P energy: -93.504
tors. eta vs tors. theta energy: -156.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1873.416861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.416861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.416861 (E_RNA)
where:
Base-Base interactions energy: -1278.028
where: short stacking energy: -563.377
Base-Backbone interact. energy: -1.377
local terms energy: -594.011729
where:
bonds (distance) C4'-P energy: -134.241
bonds (distance) P-C4' energy: -104.229
flat angles C4'-P-C4' energy: -135.258
flat angles P-C4'-P energy: -72.576
tors. eta vs tors. theta energy: -147.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1678.425184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.425184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.425184 (E_RNA)
where:
Base-Base interactions energy: -1106.344
where: short stacking energy: -509.340
Base-Backbone interact. energy: -0.660
local terms energy: -571.420863
where:
bonds (distance) C4'-P energy: -118.572
bonds (distance) P-C4' energy: -112.362
flat angles C4'-P-C4' energy: -125.018
flat angles P-C4'-P energy: -75.154
tors. eta vs tors. theta energy: -140.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1546.221538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.221538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.221538 (E_RNA)
where:
Base-Base interactions energy: -1000.202
where: short stacking energy: -454.210
Base-Backbone interact. energy: 0.930
local terms energy: -546.949518
where:
bonds (distance) C4'-P energy: -120.114
bonds (distance) P-C4' energy: -103.771
flat angles C4'-P-C4' energy: -132.113
flat angles P-C4'-P energy: -74.784
tors. eta vs tors. theta energy: -116.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1383.725976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.725976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.725976 (E_RNA)
where:
Base-Base interactions energy: -895.906
where: short stacking energy: -399.938
Base-Backbone interact. energy: 0.166
local terms energy: -487.986608
where:
bonds (distance) C4'-P energy: -105.579
bonds (distance) P-C4' energy: -91.493
flat angles C4'-P-C4' energy: -127.653
flat angles P-C4'-P energy: -75.040
tors. eta vs tors. theta energy: -88.222
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: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -749.868905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.868905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.868905 (E_RNA)
where:
Base-Base interactions energy: -374.186
where: short stacking energy: -216.293
Base-Backbone interact. energy: 1.306
local terms energy: -376.989189
where:
bonds (distance) C4'-P energy: -95.589
bonds (distance) P-C4' energy: -109.597
flat angles C4'-P-C4' energy: -104.800
flat angles P-C4'-P energy: -71.012
tors. eta vs tors. theta energy: 4.008
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: 208
Temperature: 1.350000
Total energy: -696.744476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.744476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.744476 (E_RNA)
where:
Base-Base interactions energy: -343.828
where: short stacking energy: -204.990
Base-Backbone interact. energy: -1.056
local terms energy: -351.860006
where:
bonds (distance) C4'-P energy: -100.012
bonds (distance) P-C4' energy: -108.668
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -71.798
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2331.667399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.667399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.667399 (E_RNA)
where:
Base-Base interactions energy: -1615.342
where: short stacking energy: -668.654
Base-Backbone interact. energy: -6.352
local terms energy: -709.973985
where:
bonds (distance) C4'-P energy: -132.317
bonds (distance) P-C4' energy: -124.862
flat angles C4'-P-C4' energy: -150.161
flat angles P-C4'-P energy: -101.895
tors. eta vs tors. theta energy: -200.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2228.268580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.268580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.268580 (E_RNA)
where:
Base-Base interactions energy: -1568.193
where: short stacking energy: -640.761
Base-Backbone interact. energy: -2.317
local terms energy: -657.757935
where:
bonds (distance) C4'-P energy: -119.988
bonds (distance) P-C4' energy: -120.213
flat angles C4'-P-C4' energy: -150.016
flat angles P-C4'-P energy: -95.034
tors. eta vs tors. theta energy: -172.507
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: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2117.433022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.433022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.433022 (E_RNA)
where:
Base-Base interactions energy: -1449.208
where: short stacking energy: -620.598
Base-Backbone interact. energy: 0.176
local terms energy: -668.401110
where:
bonds (distance) C4'-P energy: -119.077
bonds (distance) P-C4' energy: -130.602
flat angles C4'-P-C4' energy: -152.847
flat angles P-C4'-P energy: -88.253
tors. eta vs tors. theta energy: -177.623
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: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2004.045680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.045680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.045680 (E_RNA)
where:
Base-Base interactions energy: -1401.056
where: short stacking energy: -584.962
Base-Backbone interact. energy: -4.189
local terms energy: -598.799965
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -122.528
flat angles C4'-P-C4' energy: -125.092
flat angles P-C4'-P energy: -75.940
tors. eta vs tors. theta energy: -155.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1878.609453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.609453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.609453 (E_RNA)
where:
Base-Base interactions energy: -1299.455
where: short stacking energy: -574.443
Base-Backbone interact. energy: 0.724
local terms energy: -579.878228
where:
bonds (distance) C4'-P energy: -105.475
bonds (distance) P-C4' energy: -126.988
flat angles C4'-P-C4' energy: -118.543
flat angles P-C4'-P energy: -82.760
tors. eta vs tors. theta energy: -146.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1703.690112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.690112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.690112 (E_RNA)
where:
Base-Base interactions energy: -1124.084
where: short stacking energy: -496.152
Base-Backbone interact. energy: -2.725
local terms energy: -576.881579
where:
bonds (distance) C4'-P energy: -109.687
bonds (distance) P-C4' energy: -121.683
flat angles C4'-P-C4' energy: -134.976
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -134.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1558.053090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.053090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.053090 (E_RNA)
where:
Base-Base interactions energy: -1002.154
where: short stacking energy: -460.823
Base-Backbone interact. energy: -0.433
local terms energy: -555.465959
where:
bonds (distance) C4'-P energy: -110.184
bonds (distance) P-C4' energy: -117.505
flat angles C4'-P-C4' energy: -132.664
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -125.720
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: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1495.549366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.549366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.549366 (E_RNA)
where:
Base-Base interactions energy: -978.516
where: short stacking energy: -414.811
Base-Backbone interact. energy: 1.014
local terms energy: -518.047943
where:
bonds (distance) C4'-P energy: -109.560
bonds (distance) P-C4' energy: -108.475
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -77.273
tors. eta vs tors. theta energy: -102.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -823.009477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.009477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.009477 (E_RNA)
where:
Base-Base interactions energy: -431.090
where: short stacking energy: -237.994
Base-Backbone interact. energy: -0.046
local terms energy: -391.873709
where:
bonds (distance) C4'-P energy: -98.193
bonds (distance) P-C4' energy: -110.789
flat angles C4'-P-C4' energy: -112.506
flat angles P-C4'-P energy: -57.513
tors. eta vs tors. theta energy: -12.873
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: 209
Temperature: 1.350000
Total energy: -724.784417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.784417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.784417 (E_RNA)
where:
Base-Base interactions energy: -374.906
where: short stacking energy: -212.222
Base-Backbone interact. energy: -1.549
local terms energy: -348.329199
where:
bonds (distance) C4'-P energy: -116.492
bonds (distance) P-C4' energy: -100.807
flat angles C4'-P-C4' energy: -85.474
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -9.035
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: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2318.567862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.567862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.567862 (E_RNA)
where:
Base-Base interactions energy: -1599.749
where: short stacking energy: -677.985
Base-Backbone interact. energy: -0.074
local terms energy: -718.744902
where:
bonds (distance) C4'-P energy: -140.402
bonds (distance) P-C4' energy: -133.883
flat angles C4'-P-C4' energy: -151.745
flat angles P-C4'-P energy: -101.748
tors. eta vs tors. theta energy: -190.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2231.036107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.036107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.036107 (E_RNA)
where:
Base-Base interactions energy: -1535.149
where: short stacking energy: -659.559
Base-Backbone interact. energy: -4.986
local terms energy: -690.901655
where:
bonds (distance) C4'-P energy: -129.922
bonds (distance) P-C4' energy: -125.545
flat angles C4'-P-C4' energy: -140.184
flat angles P-C4'-P energy: -103.873
tors. eta vs tors. theta energy: -191.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2105.832000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.832000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.832000 (E_RNA)
where:
Base-Base interactions energy: -1461.554
where: short stacking energy: -628.936
Base-Backbone interact. energy: -0.808
local terms energy: -643.470104
where:
bonds (distance) C4'-P energy: -116.035
bonds (distance) P-C4' energy: -115.761
flat angles C4'-P-C4' energy: -155.027
flat angles P-C4'-P energy: -86.640
tors. eta vs tors. theta energy: -170.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2035.160830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.160830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.160830 (E_RNA)
where:
Base-Base interactions energy: -1373.439
where: short stacking energy: -606.628
Base-Backbone interact. energy: -3.259
local terms energy: -658.463135
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -127.310
flat angles C4'-P-C4' energy: -152.467
flat angles P-C4'-P energy: -92.246
tors. eta vs tors. theta energy: -166.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1879.637898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.637898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.637898 (E_RNA)
where:
Base-Base interactions energy: -1255.321
where: short stacking energy: -563.323
Base-Backbone interact. energy: -1.837
local terms energy: -622.479788
where:
bonds (distance) C4'-P energy: -113.233
bonds (distance) P-C4' energy: -126.898
flat angles C4'-P-C4' energy: -141.252
flat angles P-C4'-P energy: -84.311
tors. eta vs tors. theta energy: -156.785
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1701.180151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.180151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.180151 (E_RNA)
where:
Base-Base interactions energy: -1115.287
where: short stacking energy: -507.729
Base-Backbone interact. energy: -0.561
local terms energy: -585.332077
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -111.860
flat angles C4'-P-C4' energy: -140.257
flat angles P-C4'-P energy: -77.131
tors. eta vs tors. theta energy: -149.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1570.692413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.692413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.692413 (E_RNA)
where:
Base-Base interactions energy: -1061.414
where: short stacking energy: -459.631
Base-Backbone interact. energy: -0.137
local terms energy: -509.141278
where:
bonds (distance) C4'-P energy: -98.736
bonds (distance) P-C4' energy: -110.259
flat angles C4'-P-C4' energy: -109.979
flat angles P-C4'-P energy: -72.361
tors. eta vs tors. theta energy: -117.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1535.460464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.460464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.460464 (E_RNA)
where:
Base-Base interactions energy: -1007.964
where: short stacking energy: -437.669
Base-Backbone interact. energy: -3.630
local terms energy: -523.866010
where:
bonds (distance) C4'-P energy: -94.962
bonds (distance) P-C4' energy: -133.193
flat angles C4'-P-C4' energy: -114.187
flat angles P-C4'-P energy: -79.996
tors. eta vs tors. theta energy: -101.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -799.265593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.265593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.265593 (E_RNA)
where:
Base-Base interactions energy: -424.183
where: short stacking energy: -223.519
Base-Backbone interact. energy: 1.586
local terms energy: -376.667919
where:
bonds (distance) C4'-P energy: -107.899
bonds (distance) P-C4' energy: -93.580
flat angles C4'-P-C4' energy: -92.438
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -744.548993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.548993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.548993 (E_RNA)
where:
Base-Base interactions energy: -425.851
where: short stacking energy: -239.929
Base-Backbone interact. energy: -0.828
local terms energy: -317.869958
where:
bonds (distance) C4'-P energy: -104.754
bonds (distance) P-C4' energy: -86.123
flat angles C4'-P-C4' energy: -75.729
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -17.882
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: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2309.457557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.457557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.457557 (E_RNA)
where:
Base-Base interactions energy: -1591.183
where: short stacking energy: -659.993
Base-Backbone interact. energy: -4.131
local terms energy: -714.143798
where:
bonds (distance) C4'-P energy: -140.227
bonds (distance) P-C4' energy: -133.742
flat angles C4'-P-C4' energy: -143.833
flat angles P-C4'-P energy: -106.992
tors. eta vs tors. theta energy: -189.351
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2218.394020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.394020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.394020 (E_RNA)
where:
Base-Base interactions energy: -1524.791
where: short stacking energy: -672.246
Base-Backbone interact. energy: -0.956
local terms energy: -692.646558
where:
bonds (distance) C4'-P energy: -125.627
bonds (distance) P-C4' energy: -135.595
flat angles C4'-P-C4' energy: -137.868
flat angles P-C4'-P energy: -95.288
tors. eta vs tors. theta energy: -198.270
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: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2149.745898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.745898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.745898 (E_RNA)
where:
Base-Base interactions energy: -1475.726
where: short stacking energy: -615.512
Base-Backbone interact. energy: -2.317
local terms energy: -671.703051
where:
bonds (distance) C4'-P energy: -133.580
bonds (distance) P-C4' energy: -121.881
flat angles C4'-P-C4' energy: -147.574
flat angles P-C4'-P energy: -88.191
tors. eta vs tors. theta energy: -180.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2037.167479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.167479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.167479 (E_RNA)
where:
Base-Base interactions energy: -1412.268
where: short stacking energy: -601.000
Base-Backbone interact. energy: -1.520
local terms energy: -623.379574
where:
bonds (distance) C4'-P energy: -122.887
bonds (distance) P-C4' energy: -120.108
flat angles C4'-P-C4' energy: -131.930
flat angles P-C4'-P energy: -93.387
tors. eta vs tors. theta energy: -155.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1880.142483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.142483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.142483 (E_RNA)
where:
Base-Base interactions energy: -1259.289
where: short stacking energy: -549.324
Base-Backbone interact. energy: -2.188
local terms energy: -618.665468
where:
bonds (distance) C4'-P energy: -110.655
bonds (distance) P-C4' energy: -123.590
flat angles C4'-P-C4' energy: -145.412
flat angles P-C4'-P energy: -82.799
tors. eta vs tors. theta energy: -156.209
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: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1740.707402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.707402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.707402 (E_RNA)
where:
Base-Base interactions energy: -1161.257
where: short stacking energy: -526.342
Base-Backbone interact. energy: -3.298
local terms energy: -576.152278
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -114.167
flat angles C4'-P-C4' energy: -133.221
flat angles P-C4'-P energy: -77.526
tors. eta vs tors. theta energy: -136.803
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: 211
Temperature: 1.200000
Total energy: -1562.544697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.544697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.544697 (E_RNA)
where:
Base-Base interactions energy: -1001.027
where: short stacking energy: -446.316
Base-Backbone interact. energy: -2.198
local terms energy: -559.320305
where:
bonds (distance) C4'-P energy: -109.023
bonds (distance) P-C4' energy: -114.311
flat angles C4'-P-C4' energy: -119.326
flat angles P-C4'-P energy: -89.386
tors. eta vs tors. theta energy: -127.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1415.755567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.755567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.755567 (E_RNA)
where:
Base-Base interactions energy: -926.848
where: short stacking energy: -409.175
Base-Backbone interact. energy: -0.641
local terms energy: -488.265965
where:
bonds (distance) C4'-P energy: -98.528
bonds (distance) P-C4' energy: -133.772
flat angles C4'-P-C4' energy: -94.929
flat angles P-C4'-P energy: -66.286
tors. eta vs tors. theta energy: -94.751
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: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -754.165823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.165823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.165823 (E_RNA)
where:
Base-Base interactions energy: -390.055
where: short stacking energy: -211.111
Base-Backbone interact. energy: 0.731
local terms energy: -364.840934
where:
bonds (distance) C4'-P energy: -113.300
bonds (distance) P-C4' energy: -106.205
flat angles C4'-P-C4' energy: -109.340
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: 8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -675.522455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.522455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.522455 (E_RNA)
where:
Base-Base interactions energy: -306.408
where: short stacking energy: -204.296
Base-Backbone interact. energy: 6.442
local terms energy: -375.555672
where:
bonds (distance) C4'-P energy: -110.702
bonds (distance) P-C4' energy: -97.267
flat angles C4'-P-C4' energy: -114.176
flat angles P-C4'-P energy: -67.944
tors. eta vs tors. theta energy: 14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2309.657677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.657677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.657677 (E_RNA)
where:
Base-Base interactions energy: -1579.853
where: short stacking energy: -658.902
Base-Backbone interact. energy: -2.705
local terms energy: -727.100258
where:
bonds (distance) C4'-P energy: -141.116
bonds (distance) P-C4' energy: -129.107
flat angles C4'-P-C4' energy: -146.496
flat angles P-C4'-P energy: -108.709
tors. eta vs tors. theta energy: -201.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2216.393926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.393926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.393926 (E_RNA)
where:
Base-Base interactions energy: -1547.691
where: short stacking energy: -634.950
Base-Backbone interact. energy: 2.973
local terms energy: -671.676191
where:
bonds (distance) C4'-P energy: -124.514
bonds (distance) P-C4' energy: -121.057
flat angles C4'-P-C4' energy: -157.924
flat angles P-C4'-P energy: -85.524
tors. eta vs tors. theta energy: -182.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2118.850576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.850576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.850576 (E_RNA)
where:
Base-Base interactions energy: -1485.632
where: short stacking energy: -605.097
Base-Backbone interact. energy: -3.875
local terms energy: -629.343493
where:
bonds (distance) C4'-P energy: -107.568
bonds (distance) P-C4' energy: -108.414
flat angles C4'-P-C4' energy: -142.407
flat angles P-C4'-P energy: -95.753
tors. eta vs tors. theta energy: -175.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2034.961615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.961615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.961615 (E_RNA)
where:
Base-Base interactions energy: -1451.926
where: short stacking energy: -603.931
Base-Backbone interact. energy: -1.473
local terms energy: -581.562468
where:
bonds (distance) C4'-P energy: -84.457
bonds (distance) P-C4' energy: -127.421
flat angles C4'-P-C4' energy: -138.191
flat angles P-C4'-P energy: -83.209
tors. eta vs tors. theta energy: -148.286
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: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1915.290962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.290962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.290962 (E_RNA)
where:
Base-Base interactions energy: -1283.859
where: short stacking energy: -569.703
Base-Backbone interact. energy: 0.628
local terms energy: -632.060905
where:
bonds (distance) C4'-P energy: -116.617
bonds (distance) P-C4' energy: -128.397
flat angles C4'-P-C4' energy: -131.408
flat angles P-C4'-P energy: -89.130
tors. eta vs tors. theta energy: -166.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1774.985188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.985188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.985188 (E_RNA)
where:
Base-Base interactions energy: -1208.509
where: short stacking energy: -566.614
Base-Backbone interact. energy: -1.961
local terms energy: -564.515968
where:
bonds (distance) C4'-P energy: -109.075
bonds (distance) P-C4' energy: -100.625
flat angles C4'-P-C4' energy: -134.110
flat angles P-C4'-P energy: -80.722
tors. eta vs tors. theta energy: -139.983
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1453.287457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.287457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.287457 (E_RNA)
where:
Base-Base interactions energy: -974.963
where: short stacking energy: -425.400
Base-Backbone interact. energy: 1.370
local terms energy: -479.694693
where:
bonds (distance) C4'-P energy: -102.862
bonds (distance) P-C4' energy: -110.527
flat angles C4'-P-C4' energy: -111.813
flat angles P-C4'-P energy: -64.861
tors. eta vs tors. theta energy: -89.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1306.248327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.248327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.248327 (E_RNA)
where:
Base-Base interactions energy: -834.358
where: short stacking energy: -362.827
Base-Backbone interact. energy: -3.053
local terms energy: -468.836991
where:
bonds (distance) C4'-P energy: -101.907
bonds (distance) P-C4' energy: -122.020
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -66.607
tors. eta vs tors. theta energy: -72.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -793.053053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.053053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.053053 (E_RNA)
where:
Base-Base interactions energy: -384.683
where: short stacking energy: -243.348
Base-Backbone interact. energy: 0.586
local terms energy: -408.955971
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -110.959
flat angles C4'-P-C4' energy: -106.885
flat angles P-C4'-P energy: -66.251
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -687.540528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.540528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.540528 (E_RNA)
where:
Base-Base interactions energy: -338.143
where: short stacking energy: -183.052
Base-Backbone interact. energy: -1.148
local terms energy: -348.249279
where:
bonds (distance) C4'-P energy: -97.825
bonds (distance) P-C4' energy: -98.857
flat angles C4'-P-C4' energy: -94.576
flat angles P-C4'-P energy: -53.237
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2299.771624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.771624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.771624 (E_RNA)
where:
Base-Base interactions energy: -1590.830
where: short stacking energy: -681.179
Base-Backbone interact. energy: -1.819
local terms energy: -707.122861
where:
bonds (distance) C4'-P energy: -131.302
bonds (distance) P-C4' energy: -143.317
flat angles C4'-P-C4' energy: -153.329
flat angles P-C4'-P energy: -90.680
tors. eta vs tors. theta energy: -188.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2161.324306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.324306 (E_RNA)
where:
Base-Base interactions energy: -1481.638
where: short stacking energy: -639.285
Base-Backbone interact. energy: -1.732
local terms energy: -677.953942
where:
bonds (distance) C4'-P energy: -120.718
bonds (distance) P-C4' energy: -121.716
flat angles C4'-P-C4' energy: -143.617
flat angles P-C4'-P energy: -109.369
tors. eta vs tors. theta energy: -182.533
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: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2127.529408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.529408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.529408 (E_RNA)
where:
Base-Base interactions energy: -1488.959
where: short stacking energy: -620.537
Base-Backbone interact. energy: -1.661
local terms energy: -636.909429
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -118.822
flat angles C4'-P-C4' energy: -133.992
flat angles P-C4'-P energy: -95.360
tors. eta vs tors. theta energy: -174.291
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: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2069.575242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.575242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.575242 (E_RNA)
where:
Base-Base interactions energy: -1453.495
where: short stacking energy: -612.491
Base-Backbone interact. energy: -0.353
local terms energy: -615.727218
where:
bonds (distance) C4'-P energy: -119.362
bonds (distance) P-C4' energy: -113.057
flat angles C4'-P-C4' energy: -139.764
flat angles P-C4'-P energy: -89.989
tors. eta vs tors. theta energy: -153.556
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: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1917.747014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.747014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.747014 (E_RNA)
where:
Base-Base interactions energy: -1303.672
where: short stacking energy: -582.405
Base-Backbone interact. energy: 1.716
local terms energy: -615.790763
where:
bonds (distance) C4'-P energy: -119.686
bonds (distance) P-C4' energy: -126.384
flat angles C4'-P-C4' energy: -124.676
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -163.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1736.225163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.225163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.225163 (E_RNA)
where:
Base-Base interactions energy: -1190.833
where: short stacking energy: -512.562
Base-Backbone interact. energy: 0.086
local terms energy: -545.477501
where:
bonds (distance) C4'-P energy: -109.924
bonds (distance) P-C4' energy: -101.087
flat angles C4'-P-C4' energy: -117.104
flat angles P-C4'-P energy: -84.242
tors. eta vs tors. theta energy: -133.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1540.088315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.088315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.088315 (E_RNA)
where:
Base-Base interactions energy: -1025.516
where: short stacking energy: -468.640
Base-Backbone interact. energy: -0.904
local terms energy: -513.668393
where:
bonds (distance) C4'-P energy: -110.398
bonds (distance) P-C4' energy: -116.785
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -65.895
tors. eta vs tors. theta energy: -114.225
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: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1327.817635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.817635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.817635 (E_RNA)
where:
Base-Base interactions energy: -865.036
where: short stacking energy: -370.529
Base-Backbone interact. energy: -1.263
local terms energy: -461.519381
where:
bonds (distance) C4'-P energy: -100.123
bonds (distance) P-C4' energy: -109.164
flat angles C4'-P-C4' energy: -118.425
flat angles P-C4'-P energy: -67.969
tors. eta vs tors. theta energy: -65.838
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: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -753.249259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.249259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.249259 (E_RNA)
where:
Base-Base interactions energy: -397.074
where: short stacking energy: -233.048
Base-Backbone interact. energy: -3.218
local terms energy: -352.957228
where:
bonds (distance) C4'-P energy: -98.479
bonds (distance) P-C4' energy: -99.716
flat angles C4'-P-C4' energy: -91.735
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: -1.271
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: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -694.918389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.918389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.918389 (E_RNA)
where:
Base-Base interactions energy: -352.999
where: short stacking energy: -219.333
Base-Backbone interact. energy: -1.794
local terms energy: -340.124935
where:
bonds (distance) C4'-P energy: -101.745
bonds (distance) P-C4' energy: -116.059
flat angles C4'-P-C4' energy: -65.798
flat angles P-C4'-P energy: -50.244
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2289.005913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.005913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.005913 (E_RNA)
where:
Base-Base interactions energy: -1590.588
where: short stacking energy: -655.020
Base-Backbone interact. energy: -4.336
local terms energy: -694.081485
where:
bonds (distance) C4'-P energy: -123.633
bonds (distance) P-C4' energy: -130.896
flat angles C4'-P-C4' energy: -160.234
flat angles P-C4'-P energy: -91.893
tors. eta vs tors. theta energy: -187.425
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: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2173.218839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.218839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.218839 (E_RNA)
where:
Base-Base interactions energy: -1487.712
where: short stacking energy: -585.836
Base-Backbone interact. energy: 0.640
local terms energy: -686.146691
where:
bonds (distance) C4'-P energy: -111.927
bonds (distance) P-C4' energy: -137.766
flat angles C4'-P-C4' energy: -144.934
flat angles P-C4'-P energy: -113.068
tors. eta vs tors. theta energy: -178.452
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: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2173.314862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.314862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.314862 (E_RNA)
where:
Base-Base interactions energy: -1503.843
where: short stacking energy: -622.824
Base-Backbone interact. energy: -0.231
local terms energy: -669.240949
where:
bonds (distance) C4'-P energy: -119.893
bonds (distance) P-C4' energy: -130.378
flat angles C4'-P-C4' energy: -135.873
flat angles P-C4'-P energy: -97.529
tors. eta vs tors. theta energy: -185.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2083.020205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.020205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.020205 (E_RNA)
where:
Base-Base interactions energy: -1456.067
where: short stacking energy: -611.637
Base-Backbone interact. energy: -6.477
local terms energy: -620.476338
where:
bonds (distance) C4'-P energy: -114.839
bonds (distance) P-C4' energy: -119.121
flat angles C4'-P-C4' energy: -134.369
flat angles P-C4'-P energy: -82.323
tors. eta vs tors. theta energy: -169.825
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1902.184752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.184752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.184752 (E_RNA)
where:
Base-Base interactions energy: -1271.171
where: short stacking energy: -557.208
Base-Backbone interact. energy: 0.636
local terms energy: -631.649079
where:
bonds (distance) C4'-P energy: -117.375
bonds (distance) P-C4' energy: -132.682
flat angles C4'-P-C4' energy: -134.472
flat angles P-C4'-P energy: -89.100
tors. eta vs tors. theta energy: -158.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1740.563598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.563598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.563598 (E_RNA)
where:
Base-Base interactions energy: -1115.351
where: short stacking energy: -514.917
Base-Backbone interact. energy: -2.960
local terms energy: -622.252742
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -132.691
flat angles C4'-P-C4' energy: -125.836
flat angles P-C4'-P energy: -88.538
tors. eta vs tors. theta energy: -163.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1554.175225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.175225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.175225 (E_RNA)
where:
Base-Base interactions energy: -993.883
where: short stacking energy: -424.681
Base-Backbone interact. energy: 0.466
local terms energy: -560.758818
where:
bonds (distance) C4'-P energy: -111.331
bonds (distance) P-C4' energy: -127.367
flat angles C4'-P-C4' energy: -117.909
flat angles P-C4'-P energy: -86.774
tors. eta vs tors. theta energy: -117.377
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: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1381.632243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.632243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.632243 (E_RNA)
where:
Base-Base interactions energy: -887.734
where: short stacking energy: -375.478
Base-Backbone interact. energy: -1.883
local terms energy: -492.014988
where:
bonds (distance) C4'-P energy: -109.054
bonds (distance) P-C4' energy: -111.097
flat angles C4'-P-C4' energy: -122.280
flat angles P-C4'-P energy: -67.185
tors. eta vs tors. theta energy: -82.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -779.886568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.886568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.886568 (E_RNA)
where:
Base-Base interactions energy: -399.904
where: short stacking energy: -211.953
Base-Backbone interact. energy: -5.800
local terms energy: -374.182427
where:
bonds (distance) C4'-P energy: -105.881
bonds (distance) P-C4' energy: -123.838
flat angles C4'-P-C4' energy: -110.581
flat angles P-C4'-P energy: -47.432
tors. eta vs tors. theta energy: 13.549
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: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -647.468173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.468173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.468173 (E_RNA)
where:
Base-Base interactions energy: -292.423
where: short stacking energy: -178.965
Base-Backbone interact. energy: -1.092
local terms energy: -353.952857
where:
bonds (distance) C4'-P energy: -101.724
bonds (distance) P-C4' energy: -112.186
flat angles C4'-P-C4' energy: -90.827
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2297.929279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.929279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.929279 (E_RNA)
where:
Base-Base interactions energy: -1568.649
where: short stacking energy: -645.008
Base-Backbone interact. energy: -2.748
local terms energy: -726.532522
where:
bonds (distance) C4'-P energy: -139.744
bonds (distance) P-C4' energy: -142.866
flat angles C4'-P-C4' energy: -144.724
flat angles P-C4'-P energy: -109.275
tors. eta vs tors. theta energy: -189.923
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: 215
Temperature: 0.950000
Total energy: -2175.168215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.168215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.168215 (E_RNA)
where:
Base-Base interactions energy: -1485.454
where: short stacking energy: -629.723
Base-Backbone interact. energy: -2.558
local terms energy: -687.156713
where:
bonds (distance) C4'-P energy: -124.196
bonds (distance) P-C4' energy: -135.019
flat angles C4'-P-C4' energy: -145.100
flat angles P-C4'-P energy: -100.956
tors. eta vs tors. theta energy: -181.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2177.633921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.633921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.633921 (E_RNA)
where:
Base-Base interactions energy: -1507.860
where: short stacking energy: -643.463
Base-Backbone interact. energy: -2.279
local terms energy: -667.495296
where:
bonds (distance) C4'-P energy: -124.564
bonds (distance) P-C4' energy: -122.068
flat angles C4'-P-C4' energy: -151.750
flat angles P-C4'-P energy: -83.469
tors. eta vs tors. theta energy: -185.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2040.412917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.412917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.412917 (E_RNA)
where:
Base-Base interactions energy: -1428.548
where: short stacking energy: -609.536
Base-Backbone interact. energy: -1.043
local terms energy: -610.822188
where:
bonds (distance) C4'-P energy: -109.599
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -141.327
flat angles P-C4'-P energy: -95.231
tors. eta vs tors. theta energy: -147.870
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: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1962.147104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.147104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.147104 (E_RNA)
where:
Base-Base interactions energy: -1326.928
where: short stacking energy: -584.964
Base-Backbone interact. energy: 0.643
local terms energy: -635.862128
where:
bonds (distance) C4'-P energy: -105.597
bonds (distance) P-C4' energy: -120.043
flat angles C4'-P-C4' energy: -129.392
flat angles P-C4'-P energy: -100.857
tors. eta vs tors. theta energy: -179.973
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1739.246954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.246954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.246954 (E_RNA)
where:
Base-Base interactions energy: -1166.891
where: short stacking energy: -538.651
Base-Backbone interact. energy: 0.297
local terms energy: -572.652752
where:
bonds (distance) C4'-P energy: -114.100
bonds (distance) P-C4' energy: -118.443
flat angles C4'-P-C4' energy: -119.243
flat angles P-C4'-P energy: -75.955
tors. eta vs tors. theta energy: -144.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1575.133419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.133419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.133419 (E_RNA)
where:
Base-Base interactions energy: -1021.357
where: short stacking energy: -470.610
Base-Backbone interact. energy: 1.310
local terms energy: -555.086963
where:
bonds (distance) C4'-P energy: -111.721
bonds (distance) P-C4' energy: -101.653
flat angles C4'-P-C4' energy: -127.543
flat angles P-C4'-P energy: -89.360
tors. eta vs tors. theta energy: -124.810
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: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1342.227065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.227065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.227065 (E_RNA)
where:
Base-Base interactions energy: -856.465
where: short stacking energy: -391.621
Base-Backbone interact. energy: -1.901
local terms energy: -483.860994
where:
bonds (distance) C4'-P energy: -93.559
bonds (distance) P-C4' energy: -132.335
flat angles C4'-P-C4' energy: -115.955
flat angles P-C4'-P energy: -59.327
tors. eta vs tors. theta energy: -82.685
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: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -767.883724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.883724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.883724 (E_RNA)
where:
Base-Base interactions energy: -383.110
where: short stacking energy: -239.929
Base-Backbone interact. energy: -0.585
local terms energy: -384.189446
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -102.911
flat angles C4'-P-C4' energy: -123.611
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -653.003473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.003473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.003473 (E_RNA)
where:
Base-Base interactions energy: -311.705
where: short stacking energy: -175.253
Base-Backbone interact. energy: 2.568
local terms energy: -343.866364
where:
bonds (distance) C4'-P energy: -102.280
bonds (distance) P-C4' energy: -89.136
flat angles C4'-P-C4' energy: -100.713
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2306.586305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.586305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.586305 (E_RNA)
where:
Base-Base interactions energy: -1633.398
where: short stacking energy: -684.977
Base-Backbone interact. energy: -3.206
local terms energy: -669.982248
where:
bonds (distance) C4'-P energy: -120.088
bonds (distance) P-C4' energy: -123.912
flat angles C4'-P-C4' energy: -132.568
flat angles P-C4'-P energy: -94.727
tors. eta vs tors. theta energy: -198.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2183.545262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.545262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.545262 (E_RNA)
where:
Base-Base interactions energy: -1508.192
where: short stacking energy: -625.532
Base-Backbone interact. energy: -2.089
local terms energy: -673.264574
where:
bonds (distance) C4'-P energy: -120.392
bonds (distance) P-C4' energy: -137.631
flat angles C4'-P-C4' energy: -141.547
flat angles P-C4'-P energy: -103.022
tors. eta vs tors. theta energy: -170.673
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: 216
Temperature: 1.000000
Total energy: -2157.162156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.162156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.162156 (E_RNA)
where:
Base-Base interactions energy: -1486.742
where: short stacking energy: -606.850
Base-Backbone interact. energy: -1.991
local terms energy: -668.428510
where:
bonds (distance) C4'-P energy: -112.260
bonds (distance) P-C4' energy: -135.859
flat angles C4'-P-C4' energy: -152.030
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -178.865
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2028.575159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.575159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.575159 (E_RNA)
where:
Base-Base interactions energy: -1429.422
where: short stacking energy: -591.376
Base-Backbone interact. energy: 3.234
local terms energy: -602.387196
where:
bonds (distance) C4'-P energy: -107.551
bonds (distance) P-C4' energy: -122.907
flat angles C4'-P-C4' energy: -130.578
flat angles P-C4'-P energy: -93.111
tors. eta vs tors. theta energy: -148.241
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: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1937.384912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.384912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.384912 (E_RNA)
where:
Base-Base interactions energy: -1302.010
where: short stacking energy: -572.147
Base-Backbone interact. energy: 0.631
local terms energy: -636.006387
where:
bonds (distance) C4'-P energy: -127.863
bonds (distance) P-C4' energy: -116.142
flat angles C4'-P-C4' energy: -142.191
flat angles P-C4'-P energy: -83.339
tors. eta vs tors. theta energy: -166.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1732.727534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.727534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.727534 (E_RNA)
where:
Base-Base interactions energy: -1144.113
where: short stacking energy: -528.826
Base-Backbone interact. energy: -3.059
local terms energy: -585.555300
where:
bonds (distance) C4'-P energy: -108.634
bonds (distance) P-C4' energy: -120.312
flat angles C4'-P-C4' energy: -130.106
flat angles P-C4'-P energy: -77.717
tors. eta vs tors. theta energy: -148.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1516.187575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.187575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.187575 (E_RNA)
where:
Base-Base interactions energy: -955.382
where: short stacking energy: -445.262
Base-Backbone interact. energy: -4.442
local terms energy: -556.363476
where:
bonds (distance) C4'-P energy: -111.806
bonds (distance) P-C4' energy: -111.711
flat angles C4'-P-C4' energy: -132.658
flat angles P-C4'-P energy: -84.766
tors. eta vs tors. theta energy: -115.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1320.456567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.456567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.456567 (E_RNA)
where:
Base-Base interactions energy: -853.269
where: short stacking energy: -372.460
Base-Backbone interact. energy: 1.731
local terms energy: -468.918615
where:
bonds (distance) C4'-P energy: -99.577
bonds (distance) P-C4' energy: -110.915
flat angles C4'-P-C4' energy: -110.866
flat angles P-C4'-P energy: -84.632
tors. eta vs tors. theta energy: -62.929
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: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -786.538442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.538442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.538442 (E_RNA)
where:
Base-Base interactions energy: -405.516
where: short stacking energy: -212.362
Base-Backbone interact. energy: -2.101
local terms energy: -378.921759
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -124.954
flat angles C4'-P-C4' energy: -93.766
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -703.895149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.895149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.895149 (E_RNA)
where:
Base-Base interactions energy: -380.550
where: short stacking energy: -217.377
Base-Backbone interact. energy: 3.706
local terms energy: -327.050909
where:
bonds (distance) C4'-P energy: -98.279
bonds (distance) P-C4' energy: -111.522
flat angles C4'-P-C4' energy: -74.955
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: 8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2319.275476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.275476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.275476 (E_RNA)
where:
Base-Base interactions energy: -1592.832
where: short stacking energy: -678.054
Base-Backbone interact. energy: -2.727
local terms energy: -723.715907
where:
bonds (distance) C4'-P energy: -126.853
bonds (distance) P-C4' energy: -140.634
flat angles C4'-P-C4' energy: -154.432
flat angles P-C4'-P energy: -102.671
tors. eta vs tors. theta energy: -199.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2170.698216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.698216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.698216 (E_RNA)
where:
Base-Base interactions energy: -1499.894
where: short stacking energy: -619.356
Base-Backbone interact. energy: -1.470
local terms energy: -669.333843
where:
bonds (distance) C4'-P energy: -126.900
bonds (distance) P-C4' energy: -129.317
flat angles C4'-P-C4' energy: -145.081
flat angles P-C4'-P energy: -95.638
tors. eta vs tors. theta energy: -172.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2145.206771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.206771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.206771 (E_RNA)
where:
Base-Base interactions energy: -1496.453
where: short stacking energy: -617.096
Base-Backbone interact. energy: -2.627
local terms energy: -646.127036
where:
bonds (distance) C4'-P energy: -114.456
bonds (distance) P-C4' energy: -128.611
flat angles C4'-P-C4' energy: -141.199
flat angles P-C4'-P energy: -85.276
tors. eta vs tors. theta energy: -176.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2054.664283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.664283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.664283 (E_RNA)
where:
Base-Base interactions energy: -1434.331
where: short stacking energy: -587.818
Base-Backbone interact. energy: 0.120
local terms energy: -620.453476
where:
bonds (distance) C4'-P energy: -126.800
bonds (distance) P-C4' energy: -120.339
flat angles C4'-P-C4' energy: -132.163
flat angles P-C4'-P energy: -82.852
tors. eta vs tors. theta energy: -158.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1962.585488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.585488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.585488 (E_RNA)
where:
Base-Base interactions energy: -1332.650
where: short stacking energy: -568.429
Base-Backbone interact. energy: -2.110
local terms energy: -627.825519
where:
bonds (distance) C4'-P energy: -125.932
bonds (distance) P-C4' energy: -105.004
flat angles C4'-P-C4' energy: -132.742
flat angles P-C4'-P energy: -94.932
tors. eta vs tors. theta energy: -169.216
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: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1751.225362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.225362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.225362 (E_RNA)
where:
Base-Base interactions energy: -1186.358
where: short stacking energy: -525.647
Base-Backbone interact. energy: -3.773
local terms energy: -561.094591
where:
bonds (distance) C4'-P energy: -109.388
bonds (distance) P-C4' energy: -116.171
flat angles C4'-P-C4' energy: -121.796
flat angles P-C4'-P energy: -73.134
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: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1580.002348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.002348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.002348 (E_RNA)
where:
Base-Base interactions energy: -1002.852
where: short stacking energy: -437.197
Base-Backbone interact. energy: -3.284
local terms energy: -573.865892
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -106.809
flat angles C4'-P-C4' energy: -137.612
flat angles P-C4'-P energy: -84.498
tors. eta vs tors. theta energy: -116.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1327.931442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.931442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.931442 (E_RNA)
where:
Base-Base interactions energy: -859.884
where: short stacking energy: -407.159
Base-Backbone interact. energy: -0.309
local terms energy: -467.738838
where:
bonds (distance) C4'-P energy: -114.277
bonds (distance) P-C4' energy: -106.272
flat angles C4'-P-C4' energy: -94.194
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -75.448
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: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -771.165276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.165276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.165276 (E_RNA)
where:
Base-Base interactions energy: -413.569
where: short stacking energy: -239.117
Base-Backbone interact. energy: -3.179
local terms energy: -354.416623
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -113.571
flat angles C4'-P-C4' energy: -88.324
flat angles P-C4'-P energy: -58.430
tors. eta vs tors. theta energy: 3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -731.775123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.775123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.775123 (E_RNA)
where:
Base-Base interactions energy: -377.632
where: short stacking energy: -226.051
Base-Backbone interact. energy: -2.018
local terms energy: -352.125328
where:
bonds (distance) C4'-P energy: -110.191
bonds (distance) P-C4' energy: -99.064
flat angles C4'-P-C4' energy: -86.839
flat angles P-C4'-P energy: -53.909
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2309.159138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.159138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.159138 (E_RNA)
where:
Base-Base interactions energy: -1608.104
where: short stacking energy: -686.877
Base-Backbone interact. energy: -4.688
local terms energy: -696.366401
where:
bonds (distance) C4'-P energy: -131.537
bonds (distance) P-C4' energy: -124.969
flat angles C4'-P-C4' energy: -149.334
flat angles P-C4'-P energy: -91.752
tors. eta vs tors. theta energy: -198.775
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: 218
Temperature: 0.950000
Total energy: -2173.807609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.807609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.807609 (E_RNA)
where:
Base-Base interactions energy: -1526.917
where: short stacking energy: -630.756
Base-Backbone interact. energy: 0.203
local terms energy: -647.093348
where:
bonds (distance) C4'-P energy: -116.931
bonds (distance) P-C4' energy: -131.117
flat angles C4'-P-C4' energy: -136.843
flat angles P-C4'-P energy: -91.049
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: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2182.817298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.817298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.817298 (E_RNA)
where:
Base-Base interactions energy: -1511.464
where: short stacking energy: -618.570
Base-Backbone interact. energy: -2.761
local terms energy: -668.591870
where:
bonds (distance) C4'-P energy: -132.523
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -138.020
flat angles P-C4'-P energy: -97.700
tors. eta vs tors. theta energy: -178.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2037.684798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.684798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.684798 (E_RNA)
where:
Base-Base interactions energy: -1407.834
where: short stacking energy: -578.736
Base-Backbone interact. energy: 0.545
local terms energy: -630.395783
where:
bonds (distance) C4'-P energy: -110.635
bonds (distance) P-C4' energy: -134.433
flat angles C4'-P-C4' energy: -142.985
flat angles P-C4'-P energy: -98.389
tors. eta vs tors. theta energy: -143.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2017.926692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.926692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.926692 (E_RNA)
where:
Base-Base interactions energy: -1366.855
where: short stacking energy: -585.694
Base-Backbone interact. energy: -0.524
local terms energy: -650.546955
where:
bonds (distance) C4'-P energy: -114.983
bonds (distance) P-C4' energy: -136.639
flat angles C4'-P-C4' energy: -132.382
flat angles P-C4'-P energy: -87.517
tors. eta vs tors. theta energy: -179.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1704.832816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.832816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.832816 (E_RNA)
where:
Base-Base interactions energy: -1142.597
where: short stacking energy: -526.257
Base-Backbone interact. energy: -0.632
local terms energy: -561.604474
where:
bonds (distance) C4'-P energy: -104.806
bonds (distance) P-C4' energy: -115.222
flat angles C4'-P-C4' energy: -128.092
flat angles P-C4'-P energy: -83.969
tors. eta vs tors. theta energy: -129.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1539.536499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.536499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.536499 (E_RNA)
where:
Base-Base interactions energy: -1005.581
where: short stacking energy: -432.837
Base-Backbone interact. energy: -1.354
local terms energy: -532.601330
where:
bonds (distance) C4'-P energy: -105.008
bonds (distance) P-C4' energy: -117.993
flat angles C4'-P-C4' energy: -123.210
flat angles P-C4'-P energy: -65.879
tors. eta vs tors. theta energy: -120.511
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: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1342.680180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.680180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.680180 (E_RNA)
where:
Base-Base interactions energy: -840.450
where: short stacking energy: -397.296
Base-Backbone interact. energy: -0.663
local terms energy: -501.566911
where:
bonds (distance) C4'-P energy: -118.550
bonds (distance) P-C4' energy: -114.150
flat angles C4'-P-C4' energy: -131.947
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -81.737
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -830.348627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.348627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.348627 (E_RNA)
where:
Base-Base interactions energy: -396.549
where: short stacking energy: -232.862
Base-Backbone interact. energy: -1.630
local terms energy: -432.170169
where:
bonds (distance) C4'-P energy: -109.456
bonds (distance) P-C4' energy: -113.211
flat angles C4'-P-C4' energy: -104.697
flat angles P-C4'-P energy: -79.005
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -753.148744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.148744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.148744 (E_RNA)
where:
Base-Base interactions energy: -378.443
where: short stacking energy: -241.830
Base-Backbone interact. energy: -5.019
local terms energy: -369.686902
where:
bonds (distance) C4'-P energy: -101.027
bonds (distance) P-C4' energy: -124.648
flat angles C4'-P-C4' energy: -95.566
flat angles P-C4'-P energy: -47.304
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2340.371197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.371197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.371197 (E_RNA)
where:
Base-Base interactions energy: -1631.257
where: short stacking energy: -682.411
Base-Backbone interact. energy: -3.080
local terms energy: -706.033695
where:
bonds (distance) C4'-P energy: -134.720
bonds (distance) P-C4' energy: -139.653
flat angles C4'-P-C4' energy: -159.505
flat angles P-C4'-P energy: -86.763
tors. eta vs tors. theta energy: -185.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2179.891291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.891291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.891291 (E_RNA)
where:
Base-Base interactions energy: -1515.861
where: short stacking energy: -621.619
Base-Backbone interact. energy: -1.366
local terms energy: -662.664203
where:
bonds (distance) C4'-P energy: -124.189
bonds (distance) P-C4' energy: -129.978
flat angles C4'-P-C4' energy: -134.134
flat angles P-C4'-P energy: -95.919
tors. eta vs tors. theta energy: -178.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2160.291838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.291838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.291838 (E_RNA)
where:
Base-Base interactions energy: -1479.544
where: short stacking energy: -619.484
Base-Backbone interact. energy: -4.827
local terms energy: -675.920762
where:
bonds (distance) C4'-P energy: -132.947
bonds (distance) P-C4' energy: -137.020
flat angles C4'-P-C4' energy: -140.294
flat angles P-C4'-P energy: -80.881
tors. eta vs tors. theta energy: -184.779
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: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2047.902986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.902986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.902986 (E_RNA)
where:
Base-Base interactions energy: -1414.805
where: short stacking energy: -597.368
Base-Backbone interact. energy: 2.272
local terms energy: -635.370348
where:
bonds (distance) C4'-P energy: -120.479
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -144.600
flat angles P-C4'-P energy: -86.672
tors. eta vs tors. theta energy: -160.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1954.321071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.321071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.321071 (E_RNA)
where:
Base-Base interactions energy: -1344.848
where: short stacking energy: -578.882
Base-Backbone interact. energy: -2.466
local terms energy: -607.007036
where:
bonds (distance) C4'-P energy: -107.200
bonds (distance) P-C4' energy: -111.889
flat angles C4'-P-C4' energy: -143.742
flat angles P-C4'-P energy: -70.282
tors. eta vs tors. theta energy: -173.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1787.116638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.116638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.116638 (E_RNA)
where:
Base-Base interactions energy: -1190.673
where: short stacking energy: -552.807
Base-Backbone interact. energy: -1.911
local terms energy: -594.532623
where:
bonds (distance) C4'-P energy: -110.380
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -141.859
flat angles P-C4'-P energy: -92.769
tors. eta vs tors. theta energy: -139.665
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: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1545.070692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.070692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.070692 (E_RNA)
where:
Base-Base interactions energy: -1050.938
where: short stacking energy: -458.374
Base-Backbone interact. energy: 12.075
local terms energy: -506.207490
where:
bonds (distance) C4'-P energy: -103.236
bonds (distance) P-C4' energy: -108.534
flat angles C4'-P-C4' energy: -110.916
flat angles P-C4'-P energy: -73.628
tors. eta vs tors. theta energy: -109.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1364.576740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.576740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.576740 (E_RNA)
where:
Base-Base interactions energy: -918.394
where: short stacking energy: -368.487
Base-Backbone interact. energy: 0.804
local terms energy: -446.986471
where:
bonds (distance) C4'-P energy: -100.867
bonds (distance) P-C4' energy: -115.914
flat angles C4'-P-C4' energy: -99.300
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -58.580
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -882.122423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.122423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.122423 (E_RNA)
where:
Base-Base interactions energy: -472.466
where: short stacking energy: -248.750
Base-Backbone interact. energy: -2.954
local terms energy: -406.702074
where:
bonds (distance) C4'-P energy: -95.633
bonds (distance) P-C4' energy: -108.863
flat angles C4'-P-C4' energy: -95.588
flat angles P-C4'-P energy: -72.895
tors. eta vs tors. theta energy: -33.723
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: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -693.034197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.034197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.034197 (E_RNA)
where:
Base-Base interactions energy: -341.306
where: short stacking energy: -203.523
Base-Backbone interact. energy: -3.931
local terms energy: -347.797224
where:
bonds (distance) C4'-P energy: -85.994
bonds (distance) P-C4' energy: -105.132
flat angles C4'-P-C4' energy: -86.901
flat angles P-C4'-P energy: -61.230
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2299.306643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.306643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.306643 (E_RNA)
where:
Base-Base interactions energy: -1581.413
where: short stacking energy: -676.764
Base-Backbone interact. energy: -5.214
local terms energy: -712.679786
where:
bonds (distance) C4'-P energy: -126.506
bonds (distance) P-C4' energy: -134.049
flat angles C4'-P-C4' energy: -150.205
flat angles P-C4'-P energy: -108.982
tors. eta vs tors. theta energy: -192.938
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: 220
Temperature: 0.950000
Total energy: -2193.554940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.554940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.554940 (E_RNA)
where:
Base-Base interactions energy: -1501.344
where: short stacking energy: -618.950
Base-Backbone interact. energy: -2.950
local terms energy: -689.260684
where:
bonds (distance) C4'-P energy: -129.253
bonds (distance) P-C4' energy: -141.522
flat angles C4'-P-C4' energy: -141.414
flat angles P-C4'-P energy: -90.583
tors. eta vs tors. theta energy: -186.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2161.672554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.672554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.672554 (E_RNA)
where:
Base-Base interactions energy: -1483.198
where: short stacking energy: -619.957
Base-Backbone interact. energy: -3.655
local terms energy: -674.820227
where:
bonds (distance) C4'-P energy: -121.130
bonds (distance) P-C4' energy: -135.397
flat angles C4'-P-C4' energy: -141.982
flat angles P-C4'-P energy: -87.274
tors. eta vs tors. theta energy: -189.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2045.586396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.586396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.586396 (E_RNA)
where:
Base-Base interactions energy: -1427.817
where: short stacking energy: -593.324
Base-Backbone interact. energy: -1.067
local terms energy: -616.701699
where:
bonds (distance) C4'-P energy: -123.656
bonds (distance) P-C4' energy: -127.284
flat angles C4'-P-C4' energy: -137.116
flat angles P-C4'-P energy: -79.158
tors. eta vs tors. theta energy: -149.487
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: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1970.462048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.462048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.462048 (E_RNA)
where:
Base-Base interactions energy: -1341.282
where: short stacking energy: -571.014
Base-Backbone interact. energy: -3.403
local terms energy: -625.777253
where:
bonds (distance) C4'-P energy: -116.462
bonds (distance) P-C4' energy: -113.651
flat angles C4'-P-C4' energy: -148.632
flat angles P-C4'-P energy: -80.095
tors. eta vs tors. theta energy: -166.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1784.808176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.808176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.808176 (E_RNA)
where:
Base-Base interactions energy: -1190.215
where: short stacking energy: -545.068
Base-Backbone interact. energy: 2.793
local terms energy: -597.386123
where:
bonds (distance) C4'-P energy: -114.990
bonds (distance) P-C4' energy: -117.700
flat angles C4'-P-C4' energy: -119.855
flat angles P-C4'-P energy: -87.792
tors. eta vs tors. theta energy: -157.049
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: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1557.957031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.957031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.957031 (E_RNA)
where:
Base-Base interactions energy: -1025.754
where: short stacking energy: -457.090
Base-Backbone interact. energy: -1.240
local terms energy: -530.963031
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -111.031
flat angles C4'-P-C4' energy: -133.982
flat angles P-C4'-P energy: -68.726
tors. eta vs tors. theta energy: -103.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1384.315451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.315451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.315451 (E_RNA)
where:
Base-Base interactions energy: -902.905
where: short stacking energy: -378.078
Base-Backbone interact. energy: -1.288
local terms energy: -480.122188
where:
bonds (distance) C4'-P energy: -94.145
bonds (distance) P-C4' energy: -111.479
flat angles C4'-P-C4' energy: -125.296
flat angles P-C4'-P energy: -72.343
tors. eta vs tors. theta energy: -76.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -947.066249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.066249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.066249 (E_RNA)
where:
Base-Base interactions energy: -540.425
where: short stacking energy: -273.798
Base-Backbone interact. energy: 0.486
local terms energy: -407.127530
where:
bonds (distance) C4'-P energy: -104.406
bonds (distance) P-C4' energy: -95.511
flat angles C4'-P-C4' energy: -91.883
flat angles P-C4'-P energy: -72.015
tors. eta vs tors. theta energy: -43.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -717.324985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.324985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.324985 (E_RNA)
where:
Base-Base interactions energy: -320.193
where: short stacking energy: -204.695
Base-Backbone interact. energy: 5.521
local terms energy: -402.652896
where:
bonds (distance) C4'-P energy: -109.033
bonds (distance) P-C4' energy: -128.890
flat angles C4'-P-C4' energy: -101.600
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2304.373655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.373655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.373655 (E_RNA)
where:
Base-Base interactions energy: -1578.119
where: short stacking energy: -681.357
Base-Backbone interact. energy: -2.272
local terms energy: -723.982539
where:
bonds (distance) C4'-P energy: -130.408
bonds (distance) P-C4' energy: -149.713
flat angles C4'-P-C4' energy: -150.138
flat angles P-C4'-P energy: -104.206
tors. eta vs tors. theta energy: -189.517
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: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2164.768063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.768063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.768063 (E_RNA)
where:
Base-Base interactions energy: -1487.843
where: short stacking energy: -608.965
Base-Backbone interact. energy: -1.425
local terms energy: -675.499938
where:
bonds (distance) C4'-P energy: -122.546
bonds (distance) P-C4' energy: -134.744
flat angles C4'-P-C4' energy: -146.192
flat angles P-C4'-P energy: -104.571
tors. eta vs tors. theta energy: -167.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2168.435888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.435888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.435888 (E_RNA)
where:
Base-Base interactions energy: -1481.611
where: short stacking energy: -606.114
Base-Backbone interact. energy: 3.060
local terms energy: -689.884609
where:
bonds (distance) C4'-P energy: -130.498
bonds (distance) P-C4' energy: -139.837
flat angles C4'-P-C4' energy: -148.594
flat angles P-C4'-P energy: -96.661
tors. eta vs tors. theta energy: -174.294
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2031.785475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.785475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.785475 (E_RNA)
where:
Base-Base interactions energy: -1413.318
where: short stacking energy: -581.436
Base-Backbone interact. energy: -0.101
local terms energy: -618.366626
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -131.842
flat angles C4'-P-C4' energy: -123.128
flat angles P-C4'-P energy: -102.104
tors. eta vs tors. theta energy: -147.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1927.044758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.044758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.044758 (E_RNA)
where:
Base-Base interactions energy: -1302.995
where: short stacking energy: -569.873
Base-Backbone interact. energy: 1.403
local terms energy: -625.453258
where:
bonds (distance) C4'-P energy: -110.762
bonds (distance) P-C4' energy: -129.182
flat angles C4'-P-C4' energy: -139.680
flat angles P-C4'-P energy: -92.986
tors. eta vs tors. theta energy: -152.844
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1804.447158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.447158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.447158 (E_RNA)
where:
Base-Base interactions energy: -1202.437
where: short stacking energy: -557.028
Base-Backbone interact. energy: -0.775
local terms energy: -601.235231
where:
bonds (distance) C4'-P energy: -101.437
bonds (distance) P-C4' energy: -121.317
flat angles C4'-P-C4' energy: -128.508
flat angles P-C4'-P energy: -95.837
tors. eta vs tors. theta energy: -154.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1610.327537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.327537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.327537 (E_RNA)
where:
Base-Base interactions energy: -1070.672
where: short stacking energy: -461.401
Base-Backbone interact. energy: -0.272
local terms energy: -539.383915
where:
bonds (distance) C4'-P energy: -106.333
bonds (distance) P-C4' energy: -112.997
flat angles C4'-P-C4' energy: -122.906
flat angles P-C4'-P energy: -80.967
tors. eta vs tors. theta energy: -116.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1429.628693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.628693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.628693 (E_RNA)
where:
Base-Base interactions energy: -916.061
where: short stacking energy: -407.880
Base-Backbone interact. energy: -2.529
local terms energy: -511.038488
where:
bonds (distance) C4'-P energy: -109.405
bonds (distance) P-C4' energy: -122.334
flat angles C4'-P-C4' energy: -118.061
flat angles P-C4'-P energy: -75.106
tors. eta vs tors. theta energy: -86.132
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: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -986.106151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.106151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.106151 (E_RNA)
where:
Base-Base interactions energy: -561.841
where: short stacking energy: -274.373
Base-Backbone interact. energy: -0.102
local terms energy: -424.163214
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -112.928
flat angles C4'-P-C4' energy: -110.278
flat angles P-C4'-P energy: -61.603
tors. eta vs tors. theta energy: -41.889
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: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -678.081126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.081126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.081126 (E_RNA)
where:
Base-Base interactions energy: -313.941
where: short stacking energy: -194.117
Base-Backbone interact. energy: -3.688
local terms energy: -360.452503
where:
bonds (distance) C4'-P energy: -115.829
bonds (distance) P-C4' energy: -93.975
flat angles C4'-P-C4' energy: -106.180
flat angles P-C4'-P energy: -47.166
tors. eta vs tors. theta energy: 2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2318.872567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.872567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.872567 (E_RNA)
where:
Base-Base interactions energy: -1597.934
where: short stacking energy: -680.573
Base-Backbone interact. energy: -7.653
local terms energy: -713.285487
where:
bonds (distance) C4'-P energy: -137.986
bonds (distance) P-C4' energy: -134.194
flat angles C4'-P-C4' energy: -143.084
flat angles P-C4'-P energy: -104.817
tors. eta vs tors. theta energy: -193.204
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: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2186.497014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.497014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.497014 (E_RNA)
where:
Base-Base interactions energy: -1520.792
where: short stacking energy: -625.532
Base-Backbone interact. energy: -2.810
local terms energy: -662.895430
where:
bonds (distance) C4'-P energy: -134.133
bonds (distance) P-C4' energy: -133.736
flat angles C4'-P-C4' energy: -152.774
flat angles P-C4'-P energy: -82.739
tors. eta vs tors. theta energy: -159.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2206.509569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.509569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.509569 (E_RNA)
where:
Base-Base interactions energy: -1530.791
where: short stacking energy: -663.852
Base-Backbone interact. energy: -3.068
local terms energy: -672.650646
where:
bonds (distance) C4'-P energy: -126.744
bonds (distance) P-C4' energy: -117.533
flat angles C4'-P-C4' energy: -149.586
flat angles P-C4'-P energy: -99.832
tors. eta vs tors. theta energy: -178.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2090.453487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.453487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.453487 (E_RNA)
where:
Base-Base interactions energy: -1414.939
where: short stacking energy: -586.754
Base-Backbone interact. energy: -2.986
local terms energy: -672.527776
where:
bonds (distance) C4'-P energy: -130.193
bonds (distance) P-C4' energy: -139.697
flat angles C4'-P-C4' energy: -137.893
flat angles P-C4'-P energy: -106.451
tors. eta vs tors. theta energy: -158.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1928.781326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.781326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.781326 (E_RNA)
where:
Base-Base interactions energy: -1297.269
where: short stacking energy: -554.020
Base-Backbone interact. energy: -5.039
local terms energy: -626.473398
where:
bonds (distance) C4'-P energy: -118.626
bonds (distance) P-C4' energy: -125.654
flat angles C4'-P-C4' energy: -138.444
flat angles P-C4'-P energy: -84.430
tors. eta vs tors. theta energy: -159.320
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: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1745.917979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.917979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.917979 (E_RNA)
where:
Base-Base interactions energy: -1173.568
where: short stacking energy: -478.935
Base-Backbone interact. energy: 0.258
local terms energy: -572.608454
where:
bonds (distance) C4'-P energy: -129.724
bonds (distance) P-C4' energy: -109.317
flat angles C4'-P-C4' energy: -131.698
flat angles P-C4'-P energy: -84.666
tors. eta vs tors. theta energy: -117.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1584.819561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.819561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.819561 (E_RNA)
where:
Base-Base interactions energy: -1072.904
where: short stacking energy: -454.099
Base-Backbone interact. energy: -0.084
local terms energy: -511.831278
where:
bonds (distance) C4'-P energy: -95.803
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -116.864
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -110.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1438.891910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.891910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.891910 (E_RNA)
where:
Base-Base interactions energy: -955.217
where: short stacking energy: -426.879
Base-Backbone interact. energy: -1.478
local terms energy: -482.196714
where:
bonds (distance) C4'-P energy: -108.844
bonds (distance) P-C4' energy: -99.416
flat angles C4'-P-C4' energy: -116.669
flat angles P-C4'-P energy: -73.650
tors. eta vs tors. theta energy: -83.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -891.434823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.434823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.434823 (E_RNA)
where:
Base-Base interactions energy: -504.278
where: short stacking energy: -268.573
Base-Backbone interact. energy: -0.601
local terms energy: -386.555688
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -107.901
flat angles C4'-P-C4' energy: -87.210
flat angles P-C4'-P energy: -59.485
tors. eta vs tors. theta energy: -23.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -654.075239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.075239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.075239 (E_RNA)
where:
Base-Base interactions energy: -290.211
where: short stacking energy: -176.401
Base-Backbone interact. energy: 1.307
local terms energy: -365.171344
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -129.576
flat angles C4'-P-C4' energy: -82.353
flat angles P-C4'-P energy: -56.380
tors. eta vs tors. theta energy: 7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2308.493512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.493512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.493512 (E_RNA)
where:
Base-Base interactions energy: -1595.783
where: short stacking energy: -680.486
Base-Backbone interact. energy: -1.510
local terms energy: -711.200072
where:
bonds (distance) C4'-P energy: -125.122
bonds (distance) P-C4' energy: -133.497
flat angles C4'-P-C4' energy: -151.592
flat angles P-C4'-P energy: -106.280
tors. eta vs tors. theta energy: -194.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2232.754071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.754071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.754071 (E_RNA)
where:
Base-Base interactions energy: -1540.493
where: short stacking energy: -638.463
Base-Backbone interact. energy: -1.216
local terms energy: -691.045214
where:
bonds (distance) C4'-P energy: -136.445
bonds (distance) P-C4' energy: -128.243
flat angles C4'-P-C4' energy: -141.247
flat angles P-C4'-P energy: -103.671
tors. eta vs tors. theta energy: -181.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2138.169739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.169739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.169739 (E_RNA)
where:
Base-Base interactions energy: -1491.766
where: short stacking energy: -638.379
Base-Backbone interact. energy: -0.401
local terms energy: -646.002136
where:
bonds (distance) C4'-P energy: -116.073
bonds (distance) P-C4' energy: -118.931
flat angles C4'-P-C4' energy: -150.904
flat angles P-C4'-P energy: -81.011
tors. eta vs tors. theta energy: -179.084
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: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2083.259295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.259295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.259295 (E_RNA)
where:
Base-Base interactions energy: -1449.098
where: short stacking energy: -612.004
Base-Backbone interact. energy: -3.158
local terms energy: -631.003146
where:
bonds (distance) C4'-P energy: -124.236
bonds (distance) P-C4' energy: -118.591
flat angles C4'-P-C4' energy: -132.983
flat angles P-C4'-P energy: -89.667
tors. eta vs tors. theta energy: -165.526
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: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1923.410138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.410138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.410138 (E_RNA)
where:
Base-Base interactions energy: -1305.759
where: short stacking energy: -556.956
Base-Backbone interact. energy: -1.839
local terms energy: -615.812382
where:
bonds (distance) C4'-P energy: -109.364
bonds (distance) P-C4' energy: -126.575
flat angles C4'-P-C4' energy: -125.386
flat angles P-C4'-P energy: -84.903
tors. eta vs tors. theta energy: -169.585
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: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1758.273904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.273904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.273904 (E_RNA)
where:
Base-Base interactions energy: -1174.357
where: short stacking energy: -538.687
Base-Backbone interact. energy: 1.187
local terms energy: -585.103866
where:
bonds (distance) C4'-P energy: -126.769
bonds (distance) P-C4' energy: -122.681
flat angles C4'-P-C4' energy: -131.447
flat angles P-C4'-P energy: -63.289
tors. eta vs tors. theta energy: -140.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1536.636450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.636450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.636450 (E_RNA)
where:
Base-Base interactions energy: -1016.769
where: short stacking energy: -452.998
Base-Backbone interact. energy: -0.413
local terms energy: -519.454576
where:
bonds (distance) C4'-P energy: -94.139
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -116.079
flat angles P-C4'-P energy: -75.044
tors. eta vs tors. theta energy: -110.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1410.679409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.679409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.679409 (E_RNA)
where:
Base-Base interactions energy: -936.151
where: short stacking energy: -417.752
Base-Backbone interact. energy: -2.840
local terms energy: -471.689068
where:
bonds (distance) C4'-P energy: -106.010
bonds (distance) P-C4' energy: -100.331
flat angles C4'-P-C4' energy: -102.174
flat angles P-C4'-P energy: -67.149
tors. eta vs tors. theta energy: -96.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -913.422685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.422685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.422685 (E_RNA)
where:
Base-Base interactions energy: -497.745
where: short stacking energy: -279.949
Base-Backbone interact. energy: -0.495
local terms energy: -415.182698
where:
bonds (distance) C4'-P energy: -110.947
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -97.702
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -46.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -702.708888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.708888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.708888 (E_RNA)
where:
Base-Base interactions energy: -355.148
where: short stacking energy: -196.161
Base-Backbone interact. energy: -0.181
local terms energy: -347.380162
where:
bonds (distance) C4'-P energy: -100.933
bonds (distance) P-C4' energy: -102.597
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -68.745
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2307.735171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.735171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.735171 (E_RNA)
where:
Base-Base interactions energy: -1592.654
where: short stacking energy: -634.452
Base-Backbone interact. energy: -1.525
local terms energy: -713.555978
where:
bonds (distance) C4'-P energy: -143.234
bonds (distance) P-C4' energy: -133.928
flat angles C4'-P-C4' energy: -136.913
flat angles P-C4'-P energy: -109.367
tors. eta vs tors. theta energy: -190.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2208.279613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.279613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.279613 (E_RNA)
where:
Base-Base interactions energy: -1535.071
where: short stacking energy: -645.471
Base-Backbone interact. energy: -0.036
local terms energy: -673.173039
where:
bonds (distance) C4'-P energy: -112.418
bonds (distance) P-C4' energy: -118.372
flat angles C4'-P-C4' energy: -152.095
flat angles P-C4'-P energy: -99.262
tors. eta vs tors. theta energy: -191.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2154.133468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.133468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.133468 (E_RNA)
where:
Base-Base interactions energy: -1480.075
where: short stacking energy: -612.103
Base-Backbone interact. energy: -1.368
local terms energy: -672.690269
where:
bonds (distance) C4'-P energy: -114.719
bonds (distance) P-C4' energy: -139.575
flat angles C4'-P-C4' energy: -141.289
flat angles P-C4'-P energy: -93.264
tors. eta vs tors. theta energy: -183.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2095.676028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.676028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.676028 (E_RNA)
where:
Base-Base interactions energy: -1466.227
where: short stacking energy: -595.603
Base-Backbone interact. energy: 0.189
local terms energy: -629.637944
where:
bonds (distance) C4'-P energy: -119.549
bonds (distance) P-C4' energy: -118.014
flat angles C4'-P-C4' energy: -139.332
flat angles P-C4'-P energy: -97.407
tors. eta vs tors. theta energy: -155.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1960.123311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.123311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.123311 (E_RNA)
where:
Base-Base interactions energy: -1349.940
where: short stacking energy: -558.795
Base-Backbone interact. energy: -0.153
local terms energy: -610.030622
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -115.974
flat angles C4'-P-C4' energy: -133.219
flat angles P-C4'-P energy: -83.187
tors. eta vs tors. theta energy: -166.834
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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1738.515951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.515951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.515951 (E_RNA)
where:
Base-Base interactions energy: -1176.421
where: short stacking energy: -527.607
Base-Backbone interact. energy: 1.047
local terms energy: -563.141864
where:
bonds (distance) C4'-P energy: -110.405
bonds (distance) P-C4' energy: -118.586
flat angles C4'-P-C4' energy: -133.607
flat angles P-C4'-P energy: -63.163
tors. eta vs tors. theta energy: -137.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1552.623171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.623171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.623171 (E_RNA)
where:
Base-Base interactions energy: -980.888
where: short stacking energy: -425.812
Base-Backbone interact. energy: 0.247
local terms energy: -571.981307
where:
bonds (distance) C4'-P energy: -122.013
bonds (distance) P-C4' energy: -124.986
flat angles C4'-P-C4' energy: -129.387
flat angles P-C4'-P energy: -80.337
tors. eta vs tors. theta energy: -115.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1446.842886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.842886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.842886 (E_RNA)
where:
Base-Base interactions energy: -952.134
where: short stacking energy: -407.832
Base-Backbone interact. energy: 0.260
local terms energy: -494.968372
where:
bonds (distance) C4'-P energy: -109.372
bonds (distance) P-C4' energy: -111.126
flat angles C4'-P-C4' energy: -104.446
flat angles P-C4'-P energy: -73.976
tors. eta vs tors. theta energy: -96.048
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: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -904.713297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.713297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.713297 (E_RNA)
where:
Base-Base interactions energy: -495.091
where: short stacking energy: -273.658
Base-Backbone interact. energy: -2.785
local terms energy: -406.836419
where:
bonds (distance) C4'-P energy: -112.830
bonds (distance) P-C4' energy: -108.419
flat angles C4'-P-C4' energy: -110.194
flat angles P-C4'-P energy: -51.894
tors. eta vs tors. theta energy: -23.499
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: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -723.963211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.963211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.963211 (E_RNA)
where:
Base-Base interactions energy: -384.812
where: short stacking energy: -188.107
Base-Backbone interact. energy: 0.160
local terms energy: -339.310782
where:
bonds (distance) C4'-P energy: -112.152
bonds (distance) P-C4' energy: -98.386
flat angles C4'-P-C4' energy: -78.452
flat angles P-C4'-P energy: -50.222
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2334.015564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.015564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.015564 (E_RNA)
where:
Base-Base interactions energy: -1615.431
where: short stacking energy: -673.761
Base-Backbone interact. energy: -1.253
local terms energy: -717.331865
where:
bonds (distance) C4'-P energy: -128.061
bonds (distance) P-C4' energy: -134.057
flat angles C4'-P-C4' energy: -147.029
flat angles P-C4'-P energy: -100.947
tors. eta vs tors. theta energy: -207.238
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: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2237.984416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.984416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.984416 (E_RNA)
where:
Base-Base interactions energy: -1550.281
where: short stacking energy: -648.979
Base-Backbone interact. energy: -1.426
local terms energy: -686.277144
where:
bonds (distance) C4'-P energy: -130.243
bonds (distance) P-C4' energy: -140.300
flat angles C4'-P-C4' energy: -139.675
flat angles P-C4'-P energy: -93.260
tors. eta vs tors. theta energy: -182.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2161.063290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.063290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.063290 (E_RNA)
where:
Base-Base interactions energy: -1496.757
where: short stacking energy: -615.282
Base-Backbone interact. energy: -1.788
local terms energy: -662.517952
where:
bonds (distance) C4'-P energy: -133.599
bonds (distance) P-C4' energy: -124.160
flat angles C4'-P-C4' energy: -151.353
flat angles P-C4'-P energy: -76.505
tors. eta vs tors. theta energy: -176.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2092.169521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.169521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.169521 (E_RNA)
where:
Base-Base interactions energy: -1486.900
where: short stacking energy: -597.650
Base-Backbone interact. energy: -0.127
local terms energy: -605.142252
where:
bonds (distance) C4'-P energy: -110.530
bonds (distance) P-C4' energy: -119.952
flat angles C4'-P-C4' energy: -128.410
flat angles P-C4'-P energy: -87.682
tors. eta vs tors. theta energy: -158.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1939.805785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.805785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.805785 (E_RNA)
where:
Base-Base interactions energy: -1333.782
where: short stacking energy: -567.934
Base-Backbone interact. energy: -3.464
local terms energy: -602.559523
where:
bonds (distance) C4'-P energy: -110.411
bonds (distance) P-C4' energy: -103.987
flat angles C4'-P-C4' energy: -138.436
flat angles P-C4'-P energy: -85.088
tors. eta vs tors. theta energy: -164.637
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: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1701.539553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.539553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.539553 (E_RNA)
where:
Base-Base interactions energy: -1122.640
where: short stacking energy: -505.539
Base-Backbone interact. energy: -1.338
local terms energy: -577.561798
where:
bonds (distance) C4'-P energy: -116.484
bonds (distance) P-C4' energy: -122.802
flat angles C4'-P-C4' energy: -124.470
flat angles P-C4'-P energy: -75.311
tors. eta vs tors. theta energy: -138.494
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: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1607.078687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.078687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.078687 (E_RNA)
where:
Base-Base interactions energy: -1054.579
where: short stacking energy: -484.335
Base-Backbone interact. energy: -3.233
local terms energy: -549.266994
where:
bonds (distance) C4'-P energy: -102.335
bonds (distance) P-C4' energy: -129.100
flat angles C4'-P-C4' energy: -123.809
flat angles P-C4'-P energy: -78.240
tors. eta vs tors. theta energy: -115.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1489.572807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.572807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.572807 (E_RNA)
where:
Base-Base interactions energy: -988.312
where: short stacking energy: -420.943
Base-Backbone interact. energy: 0.209
local terms energy: -501.469106
where:
bonds (distance) C4'-P energy: -101.534
bonds (distance) P-C4' energy: -108.106
flat angles C4'-P-C4' energy: -129.079
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -105.098
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: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -885.180769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.180769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.180769 (E_RNA)
where:
Base-Base interactions energy: -488.833
where: short stacking energy: -249.935
Base-Backbone interact. energy: -0.171
local terms energy: -396.177433
where:
bonds (distance) C4'-P energy: -105.237
bonds (distance) P-C4' energy: -101.191
flat angles C4'-P-C4' energy: -104.048
flat angles P-C4'-P energy: -62.393
tors. eta vs tors. theta energy: -23.308
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: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -700.290408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.290408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.290408 (E_RNA)
where:
Base-Base interactions energy: -362.984
where: short stacking energy: -206.044
Base-Backbone interact. energy: -0.094
local terms energy: -337.212965
where:
bonds (distance) C4'-P energy: -99.334
bonds (distance) P-C4' energy: -110.181
flat angles C4'-P-C4' energy: -87.165
flat angles P-C4'-P energy: -44.867
tors. eta vs tors. theta energy: 4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2316.964387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.964387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.964387 (E_RNA)
where:
Base-Base interactions energy: -1592.632
where: short stacking energy: -675.867
Base-Backbone interact. energy: -3.041
local terms energy: -721.291327
where:
bonds (distance) C4'-P energy: -141.075
bonds (distance) P-C4' energy: -139.286
flat angles C4'-P-C4' energy: -148.094
flat angles P-C4'-P energy: -97.447
tors. eta vs tors. theta energy: -195.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2234.284778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.284778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.284778 (E_RNA)
where:
Base-Base interactions energy: -1517.899
where: short stacking energy: -649.528
Base-Backbone interact. energy: -2.518
local terms energy: -713.868214
where:
bonds (distance) C4'-P energy: -131.714
bonds (distance) P-C4' energy: -135.153
flat angles C4'-P-C4' energy: -156.659
flat angles P-C4'-P energy: -100.183
tors. eta vs tors. theta energy: -190.159
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: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2152.776243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.776243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.776243 (E_RNA)
where:
Base-Base interactions energy: -1512.800
where: short stacking energy: -613.462
Base-Backbone interact. energy: 2.559
local terms energy: -642.534915
where:
bonds (distance) C4'-P energy: -121.187
bonds (distance) P-C4' energy: -132.424
flat angles C4'-P-C4' energy: -129.215
flat angles P-C4'-P energy: -92.376
tors. eta vs tors. theta energy: -167.333
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: 226
Temperature: 1.050000
Total energy: -2104.290564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.290564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.290564 (E_RNA)
where:
Base-Base interactions energy: -1451.609
where: short stacking energy: -609.208
Base-Backbone interact. energy: -2.132
local terms energy: -650.549376
where:
bonds (distance) C4'-P energy: -120.189
bonds (distance) P-C4' energy: -128.308
flat angles C4'-P-C4' energy: -141.438
flat angles P-C4'-P energy: -93.401
tors. eta vs tors. theta energy: -167.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1936.176932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.176932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.176932 (E_RNA)
where:
Base-Base interactions energy: -1300.036
where: short stacking energy: -555.409
Base-Backbone interact. energy: -2.921
local terms energy: -633.219014
where:
bonds (distance) C4'-P energy: -117.069
bonds (distance) P-C4' energy: -131.784
flat angles C4'-P-C4' energy: -133.286
flat angles P-C4'-P energy: -82.344
tors. eta vs tors. theta energy: -168.736
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: 226
Temperature: 1.150000
Total energy: -1707.912587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.912587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.912587 (E_RNA)
where:
Base-Base interactions energy: -1143.567
where: short stacking energy: -514.537
Base-Backbone interact. energy: 1.320
local terms energy: -565.664924
where:
bonds (distance) C4'-P energy: -119.142
bonds (distance) P-C4' energy: -113.351
flat angles C4'-P-C4' energy: -115.948
flat angles P-C4'-P energy: -84.892
tors. eta vs tors. theta energy: -132.331
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: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1603.063266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.063266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.063266 (E_RNA)
where:
Base-Base interactions energy: -1075.519
where: short stacking energy: -482.601
Base-Backbone interact. energy: 4.412
local terms energy: -531.955622
where:
bonds (distance) C4'-P energy: -108.134
bonds (distance) P-C4' energy: -122.085
flat angles C4'-P-C4' energy: -120.917
flat angles P-C4'-P energy: -65.172
tors. eta vs tors. theta energy: -115.648
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: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1474.311992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.311992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.311992 (E_RNA)
where:
Base-Base interactions energy: -967.432
where: short stacking energy: -451.095
Base-Backbone interact. energy: -0.050
local terms energy: -506.830434
where:
bonds (distance) C4'-P energy: -100.266
bonds (distance) P-C4' energy: -117.882
flat angles C4'-P-C4' energy: -116.521
flat angles P-C4'-P energy: -64.720
tors. eta vs tors. theta energy: -107.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -892.725142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.725142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.725142 (E_RNA)
where:
Base-Base interactions energy: -484.689
where: short stacking energy: -272.419
Base-Backbone interact. energy: 1.099
local terms energy: -409.135520
where:
bonds (distance) C4'-P energy: -124.057
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -62.584
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -703.276254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.276254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.276254 (E_RNA)
where:
Base-Base interactions energy: -354.357
where: short stacking energy: -218.775
Base-Backbone interact. energy: 4.546
local terms energy: -353.465131
where:
bonds (distance) C4'-P energy: -110.744
bonds (distance) P-C4' energy: -124.504
flat angles C4'-P-C4' energy: -93.464
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: 2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2316.510397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.510397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.510397 (E_RNA)
where:
Base-Base interactions energy: -1611.469
where: short stacking energy: -665.037
Base-Backbone interact. energy: -3.425
local terms energy: -701.616755
where:
bonds (distance) C4'-P energy: -124.730
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -153.403
flat angles P-C4'-P energy: -100.743
tors. eta vs tors. theta energy: -184.775
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: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2227.232800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.232800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.232800 (E_RNA)
where:
Base-Base interactions energy: -1555.744
where: short stacking energy: -629.606
Base-Backbone interact. energy: -4.309
local terms energy: -667.179976
where:
bonds (distance) C4'-P energy: -127.465
bonds (distance) P-C4' energy: -123.788
flat angles C4'-P-C4' energy: -148.114
flat angles P-C4'-P energy: -92.174
tors. eta vs tors. theta energy: -175.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2183.246051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.246051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.246051 (E_RNA)
where:
Base-Base interactions energy: -1502.961
where: short stacking energy: -623.076
Base-Backbone interact. energy: -1.308
local terms energy: -678.977192
where:
bonds (distance) C4'-P energy: -111.341
bonds (distance) P-C4' energy: -130.460
flat angles C4'-P-C4' energy: -149.186
flat angles P-C4'-P energy: -98.179
tors. eta vs tors. theta energy: -189.811
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: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1997.278180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.278180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.278180 (E_RNA)
where:
Base-Base interactions energy: -1342.263
where: short stacking energy: -582.173
Base-Backbone interact. energy: -3.426
local terms energy: -651.588452
where:
bonds (distance) C4'-P energy: -130.553
bonds (distance) P-C4' energy: -126.585
flat angles C4'-P-C4' energy: -136.104
flat angles P-C4'-P energy: -88.401
tors. eta vs tors. theta energy: -169.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2022.600167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.600167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.600167 (E_RNA)
where:
Base-Base interactions energy: -1387.305
where: short stacking energy: -573.294
Base-Backbone interact. energy: -2.989
local terms energy: -632.306122
where:
bonds (distance) C4'-P energy: -129.317
bonds (distance) P-C4' energy: -110.646
flat angles C4'-P-C4' energy: -136.392
flat angles P-C4'-P energy: -90.532
tors. eta vs tors. theta energy: -165.419
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1681.056303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.056303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.056303 (E_RNA)
where:
Base-Base interactions energy: -1107.296
where: short stacking energy: -484.056
Base-Backbone interact. energy: -0.228
local terms energy: -573.531998
where:
bonds (distance) C4'-P energy: -106.519
bonds (distance) P-C4' energy: -124.236
flat angles C4'-P-C4' energy: -128.902
flat angles P-C4'-P energy: -82.507
tors. eta vs tors. theta energy: -131.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1612.986119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.986119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.986119 (E_RNA)
where:
Base-Base interactions energy: -1060.856
where: short stacking energy: -483.589
Base-Backbone interact. energy: -0.706
local terms energy: -551.424125
where:
bonds (distance) C4'-P energy: -121.568
bonds (distance) P-C4' energy: -104.155
flat angles C4'-P-C4' energy: -135.077
flat angles P-C4'-P energy: -68.125
tors. eta vs tors. theta energy: -122.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1459.690570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.690570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.690570 (E_RNA)
where:
Base-Base interactions energy: -930.908
where: short stacking energy: -406.705
Base-Backbone interact. energy: -1.511
local terms energy: -527.272241
where:
bonds (distance) C4'-P energy: -119.868
bonds (distance) P-C4' energy: -118.796
flat angles C4'-P-C4' energy: -111.647
flat angles P-C4'-P energy: -86.606
tors. eta vs tors. theta energy: -90.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -862.055250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.055250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.055250 (E_RNA)
where:
Base-Base interactions energy: -466.593
where: short stacking energy: -240.197
Base-Backbone interact. energy: -0.316
local terms energy: -395.146199
where:
bonds (distance) C4'-P energy: -118.112
bonds (distance) P-C4' energy: -111.025
flat angles C4'-P-C4' energy: -83.659
flat angles P-C4'-P energy: -65.751
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -695.635967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.635967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.635967 (E_RNA)
where:
Base-Base interactions energy: -348.284
where: short stacking energy: -204.625
Base-Backbone interact. energy: 5.746
local terms energy: -353.097926
where:
bonds (distance) C4'-P energy: -99.002
bonds (distance) P-C4' energy: -108.686
flat angles C4'-P-C4' energy: -86.257
flat angles P-C4'-P energy: -49.270
tors. eta vs tors. theta energy: -9.882
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: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2324.142836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.142836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.142836 (E_RNA)
where:
Base-Base interactions energy: -1615.570
where: short stacking energy: -670.588
Base-Backbone interact. energy: -4.199
local terms energy: -704.374163
where:
bonds (distance) C4'-P energy: -125.389
bonds (distance) P-C4' energy: -145.411
flat angles C4'-P-C4' energy: -147.998
flat angles P-C4'-P energy: -84.226
tors. eta vs tors. theta energy: -201.351
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: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2231.777539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.777539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.777539 (E_RNA)
where:
Base-Base interactions energy: -1564.890
where: short stacking energy: -653.159
Base-Backbone interact. energy: -1.044
local terms energy: -665.842996
where:
bonds (distance) C4'-P energy: -131.064
bonds (distance) P-C4' energy: -129.036
flat angles C4'-P-C4' energy: -123.951
flat angles P-C4'-P energy: -106.711
tors. eta vs tors. theta energy: -175.081
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: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2166.204622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.204622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.204622 (E_RNA)
where:
Base-Base interactions energy: -1482.865
where: short stacking energy: -637.852
Base-Backbone interact. energy: -2.481
local terms energy: -680.859541
where:
bonds (distance) C4'-P energy: -121.215
bonds (distance) P-C4' energy: -126.214
flat angles C4'-P-C4' energy: -155.234
flat angles P-C4'-P energy: -91.950
tors. eta vs tors. theta energy: -186.246
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: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2012.870529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.870529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.870529 (E_RNA)
where:
Base-Base interactions energy: -1342.562
where: short stacking energy: -603.326
Base-Backbone interact. energy: -6.297
local terms energy: -664.011952
where:
bonds (distance) C4'-P energy: -115.608
bonds (distance) P-C4' energy: -124.873
flat angles C4'-P-C4' energy: -144.684
flat angles P-C4'-P energy: -91.636
tors. eta vs tors. theta energy: -187.211
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: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2011.037578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.037578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.037578 (E_RNA)
where:
Base-Base interactions energy: -1407.418
where: short stacking energy: -567.026
Base-Backbone interact. energy: -1.782
local terms energy: -601.837250
where:
bonds (distance) C4'-P energy: -112.951
bonds (distance) P-C4' energy: -120.704
flat angles C4'-P-C4' energy: -128.049
flat angles P-C4'-P energy: -79.980
tors. eta vs tors. theta energy: -160.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1714.882808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.882808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.882808 (E_RNA)
where:
Base-Base interactions energy: -1125.678
where: short stacking energy: -487.745
Base-Backbone interact. energy: -0.132
local terms energy: -589.073649
where:
bonds (distance) C4'-P energy: -130.227
bonds (distance) P-C4' energy: -121.370
flat angles C4'-P-C4' energy: -116.740
flat angles P-C4'-P energy: -96.170
tors. eta vs tors. theta energy: -124.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1679.403134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.403134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.403134 (E_RNA)
where:
Base-Base interactions energy: -1129.051
where: short stacking energy: -493.042
Base-Backbone interact. energy: 4.421
local terms energy: -554.773616
where:
bonds (distance) C4'-P energy: -89.652
bonds (distance) P-C4' energy: -121.264
flat angles C4'-P-C4' energy: -122.636
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -139.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1470.988436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.988436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.988436 (E_RNA)
where:
Base-Base interactions energy: -975.656
where: short stacking energy: -432.986
Base-Backbone interact. energy: -0.107
local terms energy: -495.226091
where:
bonds (distance) C4'-P energy: -113.477
bonds (distance) P-C4' energy: -108.724
flat angles C4'-P-C4' energy: -117.283
flat angles P-C4'-P energy: -62.141
tors. eta vs tors. theta energy: -93.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -864.971709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.971709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.971709 (E_RNA)
where:
Base-Base interactions energy: -482.787
where: short stacking energy: -274.103
Base-Backbone interact. energy: 1.525
local terms energy: -383.709732
where:
bonds (distance) C4'-P energy: -89.520
bonds (distance) P-C4' energy: -99.800
flat angles C4'-P-C4' energy: -93.124
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -31.246
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: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -742.513439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.513439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.513439 (E_RNA)
where:
Base-Base interactions energy: -380.640
where: short stacking energy: -212.255
Base-Backbone interact. energy: 3.573
local terms energy: -365.447328
where:
bonds (distance) C4'-P energy: -95.647
bonds (distance) P-C4' energy: -104.631
flat angles C4'-P-C4' energy: -96.282
flat angles P-C4'-P energy: -65.641
tors. eta vs tors. theta energy: -3.246
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: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2307.405677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.405677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.405677 (E_RNA)
where:
Base-Base interactions energy: -1610.260
where: short stacking energy: -662.296
Base-Backbone interact. energy: -2.459
local terms energy: -694.686308
where:
bonds (distance) C4'-P energy: -120.317
bonds (distance) P-C4' energy: -137.989
flat angles C4'-P-C4' energy: -148.852
flat angles P-C4'-P energy: -92.935
tors. eta vs tors. theta energy: -194.593
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: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2235.681343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.681343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.681343 (E_RNA)
where:
Base-Base interactions energy: -1564.252
where: short stacking energy: -616.922
Base-Backbone interact. energy: 0.208
local terms energy: -671.637610
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -136.658
flat angles C4'-P-C4' energy: -134.201
flat angles P-C4'-P energy: -93.068
tors. eta vs tors. theta energy: -172.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2161.266275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.266275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.266275 (E_RNA)
where:
Base-Base interactions energy: -1477.425
where: short stacking energy: -622.673
Base-Backbone interact. energy: -2.658
local terms energy: -681.183649
where:
bonds (distance) C4'-P energy: -126.213
bonds (distance) P-C4' energy: -121.386
flat angles C4'-P-C4' energy: -152.141
flat angles P-C4'-P energy: -89.810
tors. eta vs tors. theta energy: -191.633
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2023.590692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.590692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.590692 (E_RNA)
where:
Base-Base interactions energy: -1355.938
where: short stacking energy: -588.424
Base-Backbone interact. energy: 0.163
local terms energy: -667.815754
where:
bonds (distance) C4'-P energy: -115.007
bonds (distance) P-C4' energy: -131.281
flat angles C4'-P-C4' energy: -144.716
flat angles P-C4'-P energy: -96.882
tors. eta vs tors. theta energy: -179.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2023.228260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.228260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.228260 (E_RNA)
where:
Base-Base interactions energy: -1402.901
where: short stacking energy: -589.247
Base-Backbone interact. energy: -1.399
local terms energy: -618.928870
where:
bonds (distance) C4'-P energy: -117.811
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -126.597
flat angles P-C4'-P energy: -93.110
tors. eta vs tors. theta energy: -171.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1682.959736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.959736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.959736 (E_RNA)
where:
Base-Base interactions energy: -1096.617
where: short stacking energy: -497.082
Base-Backbone interact. energy: -2.176
local terms energy: -584.167028
where:
bonds (distance) C4'-P energy: -120.909
bonds (distance) P-C4' energy: -128.576
flat angles C4'-P-C4' energy: -127.717
flat angles P-C4'-P energy: -88.518
tors. eta vs tors. theta energy: -118.447
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: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1598.711499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.711499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.711499 (E_RNA)
where:
Base-Base interactions energy: -1062.599
where: short stacking energy: -480.475
Base-Backbone interact. energy: -0.280
local terms energy: -535.831990
where:
bonds (distance) C4'-P energy: -86.763
bonds (distance) P-C4' energy: -114.153
flat angles C4'-P-C4' energy: -128.902
flat angles P-C4'-P energy: -86.221
tors. eta vs tors. theta energy: -119.793
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: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1444.437397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.437397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.437397 (E_RNA)
where:
Base-Base interactions energy: -939.556
where: short stacking energy: -410.516
Base-Backbone interact. energy: 4.678
local terms energy: -509.558679
where:
bonds (distance) C4'-P energy: -123.490
bonds (distance) P-C4' energy: -116.846
flat angles C4'-P-C4' energy: -114.675
flat angles P-C4'-P energy: -71.990
tors. eta vs tors. theta energy: -82.557
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: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -901.524987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.524987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.524987 (E_RNA)
where:
Base-Base interactions energy: -515.748
where: short stacking energy: -309.135
Base-Backbone interact. energy: 0.797
local terms energy: -386.574390
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -103.736
flat angles C4'-P-C4' energy: -95.720
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -47.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -824.717514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.717514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.717514 (E_RNA)
where:
Base-Base interactions energy: -472.075
where: short stacking energy: -254.359
Base-Backbone interact. energy: -3.380
local terms energy: -349.262292
where:
bonds (distance) C4'-P energy: -94.041
bonds (distance) P-C4' energy: -106.866
flat angles C4'-P-C4' energy: -72.549
flat angles P-C4'-P energy: -55.015
tors. eta vs tors. theta energy: -20.792
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: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2300.871389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.871389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.871389 (E_RNA)
where:
Base-Base interactions energy: -1596.586
where: short stacking energy: -652.277
Base-Backbone interact. energy: -1.212
local terms energy: -703.073615
where:
bonds (distance) C4'-P energy: -133.803
bonds (distance) P-C4' energy: -129.722
flat angles C4'-P-C4' energy: -147.841
flat angles P-C4'-P energy: -92.897
tors. eta vs tors. theta energy: -198.811
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: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2259.612680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.612680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.612680 (E_RNA)
where:
Base-Base interactions energy: -1565.169
where: short stacking energy: -660.223
Base-Backbone interact. energy: -2.628
local terms energy: -691.815593
where:
bonds (distance) C4'-P energy: -142.285
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -98.843
tors. eta vs tors. theta energy: -184.477
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: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2179.563014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.563014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.563014 (E_RNA)
where:
Base-Base interactions energy: -1514.279
where: short stacking energy: -622.984
Base-Backbone interact. energy: 0.369
local terms energy: -665.652678
where:
bonds (distance) C4'-P energy: -124.358
bonds (distance) P-C4' energy: -115.163
flat angles C4'-P-C4' energy: -143.233
flat angles P-C4'-P energy: -93.090
tors. eta vs tors. theta energy: -189.808
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: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2014.583169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.583169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.583169 (E_RNA)
where:
Base-Base interactions energy: -1375.000
where: short stacking energy: -582.540
Base-Backbone interact. energy: -1.166
local terms energy: -638.417417
where:
bonds (distance) C4'-P energy: -108.847
bonds (distance) P-C4' energy: -127.261
flat angles C4'-P-C4' energy: -144.376
flat angles P-C4'-P energy: -82.652
tors. eta vs tors. theta energy: -175.280
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: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2026.875842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.875842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.875842 (E_RNA)
where:
Base-Base interactions energy: -1397.491
where: short stacking energy: -577.954
Base-Backbone interact. energy: -2.373
local terms energy: -627.011880
where:
bonds (distance) C4'-P energy: -93.336
bonds (distance) P-C4' energy: -126.694
flat angles C4'-P-C4' energy: -143.240
flat angles P-C4'-P energy: -89.717
tors. eta vs tors. theta energy: -174.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1724.405252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.405252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.405252 (E_RNA)
where:
Base-Base interactions energy: -1134.230
where: short stacking energy: -489.759
Base-Backbone interact. energy: -4.190
local terms energy: -585.985140
where:
bonds (distance) C4'-P energy: -122.633
bonds (distance) P-C4' energy: -129.759
flat angles C4'-P-C4' energy: -115.714
flat angles P-C4'-P energy: -81.286
tors. eta vs tors. theta energy: -136.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1639.420806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.420806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.420806 (E_RNA)
where:
Base-Base interactions energy: -1113.943
where: short stacking energy: -474.258
Base-Backbone interact. energy: -1.098
local terms energy: -524.379429
where:
bonds (distance) C4'-P energy: -114.745
bonds (distance) P-C4' energy: -103.984
flat angles C4'-P-C4' energy: -120.871
flat angles P-C4'-P energy: -57.450
tors. eta vs tors. theta energy: -127.329
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: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1403.096046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.096046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.096046 (E_RNA)
where:
Base-Base interactions energy: -913.596
where: short stacking energy: -404.612
Base-Backbone interact. energy: -1.083
local terms energy: -488.417008
where:
bonds (distance) C4'-P energy: -121.277
bonds (distance) P-C4' energy: -103.320
flat angles C4'-P-C4' energy: -113.390
flat angles P-C4'-P energy: -56.753
tors. eta vs tors. theta energy: -93.677
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -901.263108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.263108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.263108 (E_RNA)
where:
Base-Base interactions energy: -503.165
where: short stacking energy: -261.413
Base-Backbone interact. energy: -1.985
local terms energy: -396.113900
where:
bonds (distance) C4'-P energy: -118.609
bonds (distance) P-C4' energy: -116.875
flat angles C4'-P-C4' energy: -86.242
flat angles P-C4'-P energy: -51.567
tors. eta vs tors. theta energy: -22.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -816.791092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.791092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.791092 (E_RNA)
where:
Base-Base interactions energy: -455.119
where: short stacking energy: -222.375
Base-Backbone interact. energy: 2.586
local terms energy: -364.258086
where:
bonds (distance) C4'-P energy: -110.722
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -95.650
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2323.866549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.866549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.866549 (E_RNA)
where:
Base-Base interactions energy: -1620.709
where: short stacking energy: -647.653
Base-Backbone interact. energy: -4.807
local terms energy: -698.349816
where:
bonds (distance) C4'-P energy: -131.157
bonds (distance) P-C4' energy: -144.712
flat angles C4'-P-C4' energy: -141.862
flat angles P-C4'-P energy: -93.804
tors. eta vs tors. theta energy: -186.815
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: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2265.539924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.539924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.539924 (E_RNA)
where:
Base-Base interactions energy: -1587.039
where: short stacking energy: -652.805
Base-Backbone interact. energy: -3.513
local terms energy: -674.987489
where:
bonds (distance) C4'-P energy: -125.029
bonds (distance) P-C4' energy: -132.364
flat angles C4'-P-C4' energy: -151.308
flat angles P-C4'-P energy: -89.594
tors. eta vs tors. theta energy: -176.692
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: 231
Temperature: 1.000000
Total energy: -2177.064365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.064365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.064365 (E_RNA)
where:
Base-Base interactions energy: -1519.991
where: short stacking energy: -644.714
Base-Backbone interact. energy: -2.886
local terms energy: -654.187247
where:
bonds (distance) C4'-P energy: -133.083
bonds (distance) P-C4' energy: -115.758
flat angles C4'-P-C4' energy: -128.568
flat angles P-C4'-P energy: -91.138
tors. eta vs tors. theta energy: -185.640
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: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2096.222800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.222800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.222800 (E_RNA)
where:
Base-Base interactions energy: -1445.960
where: short stacking energy: -628.394
Base-Backbone interact. energy: -4.277
local terms energy: -645.986187
where:
bonds (distance) C4'-P energy: -123.245
bonds (distance) P-C4' energy: -105.069
flat angles C4'-P-C4' energy: -152.077
flat angles P-C4'-P energy: -79.216
tors. eta vs tors. theta energy: -186.380
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: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1977.925570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.925570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.925570 (E_RNA)
where:
Base-Base interactions energy: -1357.298
where: short stacking energy: -553.659
Base-Backbone interact. energy: 4.942
local terms energy: -625.569955
where:
bonds (distance) C4'-P energy: -110.522
bonds (distance) P-C4' energy: -130.051
flat angles C4'-P-C4' energy: -139.461
flat angles P-C4'-P energy: -80.258
tors. eta vs tors. theta energy: -165.278
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1694.974776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.974776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.974776 (E_RNA)
where:
Base-Base interactions energy: -1117.975
where: short stacking energy: -494.285
Base-Backbone interact. energy: 0.745
local terms energy: -577.744542
where:
bonds (distance) C4'-P energy: -115.412
bonds (distance) P-C4' energy: -116.308
flat angles C4'-P-C4' energy: -127.472
flat angles P-C4'-P energy: -78.066
tors. eta vs tors. theta energy: -140.487
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: 231
Temperature: 1.200000
Total energy: -1565.437380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.437380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.437380 (E_RNA)
where:
Base-Base interactions energy: -1026.346
where: short stacking energy: -471.557
Base-Backbone interact. energy: 0.099
local terms energy: -539.190958
where:
bonds (distance) C4'-P energy: -100.707
bonds (distance) P-C4' energy: -102.935
flat angles C4'-P-C4' energy: -135.550
flat angles P-C4'-P energy: -71.082
tors. eta vs tors. theta energy: -128.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1360.790542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.790542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.790542 (E_RNA)
where:
Base-Base interactions energy: -878.888
where: short stacking energy: -378.927
Base-Backbone interact. energy: -3.037
local terms energy: -478.864763
where:
bonds (distance) C4'-P energy: -116.898
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -122.729
flat angles P-C4'-P energy: -54.490
tors. eta vs tors. theta energy: -78.459
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: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -850.656627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.656627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.656627 (E_RNA)
where:
Base-Base interactions energy: -406.863
where: short stacking energy: -223.844
Base-Backbone interact. energy: -2.790
local terms energy: -441.004208
where:
bonds (distance) C4'-P energy: -121.613
bonds (distance) P-C4' energy: -126.290
flat angles C4'-P-C4' energy: -107.300
flat angles P-C4'-P energy: -77.898
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -807.270607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.270607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.270607 (E_RNA)
where:
Base-Base interactions energy: -403.203
where: short stacking energy: -225.181
Base-Backbone interact. energy: -0.055
local terms energy: -404.013109
where:
bonds (distance) C4'-P energy: -93.410
bonds (distance) P-C4' energy: -114.316
flat angles C4'-P-C4' energy: -110.820
flat angles P-C4'-P energy: -58.567
tors. eta vs tors. theta energy: -26.900
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: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2317.947798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.947798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.947798 (E_RNA)
where:
Base-Base interactions energy: -1629.078
where: short stacking energy: -669.638
Base-Backbone interact. energy: -5.174
local terms energy: -683.695827
where:
bonds (distance) C4'-P energy: -126.328
bonds (distance) P-C4' energy: -127.568
flat angles C4'-P-C4' energy: -153.723
flat angles P-C4'-P energy: -87.811
tors. eta vs tors. theta energy: -188.265
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: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2274.538221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.538221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.538221 (E_RNA)
where:
Base-Base interactions energy: -1568.586
where: short stacking energy: -663.871
Base-Backbone interact. energy: -3.429
local terms energy: -702.523429
where:
bonds (distance) C4'-P energy: -126.982
bonds (distance) P-C4' energy: -132.919
flat angles C4'-P-C4' energy: -147.073
flat angles P-C4'-P energy: -107.902
tors. eta vs tors. theta energy: -187.647
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: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2184.410535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.410535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.410535 (E_RNA)
where:
Base-Base interactions energy: -1501.357
where: short stacking energy: -614.139
Base-Backbone interact. energy: -3.595
local terms energy: -679.459165
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -129.010
flat angles C4'-P-C4' energy: -149.731
flat angles P-C4'-P energy: -104.020
tors. eta vs tors. theta energy: -180.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2088.766780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.766780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.766780 (E_RNA)
where:
Base-Base interactions energy: -1446.203
where: short stacking energy: -595.132
Base-Backbone interact. energy: -4.117
local terms energy: -638.446756
where:
bonds (distance) C4'-P energy: -119.565
bonds (distance) P-C4' energy: -115.540
flat angles C4'-P-C4' energy: -147.008
flat angles P-C4'-P energy: -81.247
tors. eta vs tors. theta energy: -175.087
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: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1955.128440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.128440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.128440 (E_RNA)
where:
Base-Base interactions energy: -1312.892
where: short stacking energy: -591.008
Base-Backbone interact. energy: -1.944
local terms energy: -640.293208
where:
bonds (distance) C4'-P energy: -122.371
bonds (distance) P-C4' energy: -127.796
flat angles C4'-P-C4' energy: -143.008
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -170.320
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: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1797.170428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.170428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.170428 (E_RNA)
where:
Base-Base interactions energy: -1201.674
where: short stacking energy: -545.064
Base-Backbone interact. energy: -2.128
local terms energy: -593.368685
where:
bonds (distance) C4'-P energy: -91.243
bonds (distance) P-C4' energy: -117.568
flat angles C4'-P-C4' energy: -123.118
flat angles P-C4'-P energy: -102.519
tors. eta vs tors. theta energy: -158.921
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: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1611.576136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.576136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.576136 (E_RNA)
where:
Base-Base interactions energy: -1049.829
where: short stacking energy: -483.494
Base-Backbone interact. energy: -1.220
local terms energy: -560.527511
where:
bonds (distance) C4'-P energy: -112.667
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -128.158
flat angles P-C4'-P energy: -93.067
tors. eta vs tors. theta energy: -125.770
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: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1345.159408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.159408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.159408 (E_RNA)
where:
Base-Base interactions energy: -853.458
where: short stacking energy: -379.059
Base-Backbone interact. energy: -1.034
local terms energy: -490.667232
where:
bonds (distance) C4'-P energy: -91.435
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -123.308
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -86.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -887.868233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.868233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.868233 (E_RNA)
where:
Base-Base interactions energy: -465.996
where: short stacking energy: -258.240
Base-Backbone interact. energy: -3.950
local terms energy: -417.922405
where:
bonds (distance) C4'-P energy: -112.129
bonds (distance) P-C4' energy: -126.675
flat angles C4'-P-C4' energy: -102.512
flat angles P-C4'-P energy: -52.622
tors. eta vs tors. theta energy: -23.985
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: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -707.965435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.965435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.965435 (E_RNA)
where:
Base-Base interactions energy: -361.475
where: short stacking energy: -211.973
Base-Backbone interact. energy: -3.352
local terms energy: -343.137960
where:
bonds (distance) C4'-P energy: -101.451
bonds (distance) P-C4' energy: -99.929
flat angles C4'-P-C4' energy: -85.528
flat angles P-C4'-P energy: -46.978
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2337.322845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.322845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.322845 (E_RNA)
where:
Base-Base interactions energy: -1654.069
where: short stacking energy: -657.519
Base-Backbone interact. energy: -6.755
local terms energy: -676.498934
where:
bonds (distance) C4'-P energy: -123.203
bonds (distance) P-C4' energy: -129.428
flat angles C4'-P-C4' energy: -145.897
flat angles P-C4'-P energy: -105.351
tors. eta vs tors. theta energy: -172.621
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: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2242.615159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.615159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.615159 (E_RNA)
where:
Base-Base interactions energy: -1559.975
where: short stacking energy: -630.827
Base-Backbone interact. energy: -0.653
local terms energy: -681.987559
where:
bonds (distance) C4'-P energy: -128.289
bonds (distance) P-C4' energy: -143.407
flat angles C4'-P-C4' energy: -149.036
flat angles P-C4'-P energy: -77.961
tors. eta vs tors. theta energy: -183.294
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: 233
Temperature: 1.000000
Total energy: -2185.845064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.845064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.845064 (E_RNA)
where:
Base-Base interactions energy: -1521.164
where: short stacking energy: -647.171
Base-Backbone interact. energy: -0.781
local terms energy: -663.899760
where:
bonds (distance) C4'-P energy: -119.268
bonds (distance) P-C4' energy: -125.060
flat angles C4'-P-C4' energy: -140.052
flat angles P-C4'-P energy: -98.878
tors. eta vs tors. theta energy: -180.642
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: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2051.642639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.642639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.642639 (E_RNA)
where:
Base-Base interactions energy: -1427.528
where: short stacking energy: -594.309
Base-Backbone interact. energy: -5.545
local terms energy: -618.570018
where:
bonds (distance) C4'-P energy: -110.259
bonds (distance) P-C4' energy: -120.151
flat angles C4'-P-C4' energy: -131.771
flat angles P-C4'-P energy: -79.091
tors. eta vs tors. theta energy: -177.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1985.769170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.769170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.769170 (E_RNA)
where:
Base-Base interactions energy: -1344.724
where: short stacking energy: -595.433
Base-Backbone interact. energy: -0.263
local terms energy: -640.781601
where:
bonds (distance) C4'-P energy: -114.368
bonds (distance) P-C4' energy: -115.383
flat angles C4'-P-C4' energy: -142.938
flat angles P-C4'-P energy: -81.491
tors. eta vs tors. theta energy: -186.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1747.843057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.843057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.843057 (E_RNA)
where:
Base-Base interactions energy: -1141.283
where: short stacking energy: -513.300
Base-Backbone interact. energy: -0.898
local terms energy: -605.661847
where:
bonds (distance) C4'-P energy: -107.042
bonds (distance) P-C4' energy: -122.551
flat angles C4'-P-C4' energy: -131.618
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -154.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1538.970640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.970640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.970640 (E_RNA)
where:
Base-Base interactions energy: -1014.310
where: short stacking energy: -463.073
Base-Backbone interact. energy: -0.429
local terms energy: -524.231573
where:
bonds (distance) C4'-P energy: -121.160
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -112.233
flat angles P-C4'-P energy: -72.704
tors. eta vs tors. theta energy: -107.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1375.932474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.932474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.932474 (E_RNA)
where:
Base-Base interactions energy: -905.262
where: short stacking energy: -416.227
Base-Backbone interact. energy: 4.677
local terms energy: -475.347185
where:
bonds (distance) C4'-P energy: -95.768
bonds (distance) P-C4' energy: -105.266
flat angles C4'-P-C4' energy: -113.052
flat angles P-C4'-P energy: -76.309
tors. eta vs tors. theta energy: -84.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -856.269976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.269976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.269976 (E_RNA)
where:
Base-Base interactions energy: -448.602
where: short stacking energy: -238.643
Base-Backbone interact. energy: 0.084
local terms energy: -407.752239
where:
bonds (distance) C4'-P energy: -110.651
bonds (distance) P-C4' energy: -119.134
flat angles C4'-P-C4' energy: -87.269
flat angles P-C4'-P energy: -70.159
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -715.321045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.321045 (E_RNA)
where:
Base-Base interactions energy: -352.876
where: short stacking energy: -205.590
Base-Backbone interact. energy: 2.570
local terms energy: -365.014531
where:
bonds (distance) C4'-P energy: -100.490
bonds (distance) P-C4' energy: -104.002
flat angles C4'-P-C4' energy: -100.562
flat angles P-C4'-P energy: -52.309
tors. eta vs tors. theta energy: -7.652
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: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2312.164715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.164715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.164715 (E_RNA)
where:
Base-Base interactions energy: -1622.483
where: short stacking energy: -671.161
Base-Backbone interact. energy: -3.463
local terms energy: -686.219216
where:
bonds (distance) C4'-P energy: -138.514
bonds (distance) P-C4' energy: -139.739
flat angles C4'-P-C4' energy: -135.846
flat angles P-C4'-P energy: -98.015
tors. eta vs tors. theta energy: -174.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2220.566512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.566512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.566512 (E_RNA)
where:
Base-Base interactions energy: -1513.526
where: short stacking energy: -633.214
Base-Backbone interact. energy: -5.795
local terms energy: -701.245357
where:
bonds (distance) C4'-P energy: -138.081
bonds (distance) P-C4' energy: -129.178
flat angles C4'-P-C4' energy: -154.208
flat angles P-C4'-P energy: -91.672
tors. eta vs tors. theta energy: -188.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2171.415972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.415972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.415972 (E_RNA)
where:
Base-Base interactions energy: -1493.533
where: short stacking energy: -611.325
Base-Backbone interact. energy: -3.870
local terms energy: -674.013567
where:
bonds (distance) C4'-P energy: -121.539
bonds (distance) P-C4' energy: -128.556
flat angles C4'-P-C4' energy: -142.867
flat angles P-C4'-P energy: -98.674
tors. eta vs tors. theta energy: -182.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2036.272674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.272674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.272674 (E_RNA)
where:
Base-Base interactions energy: -1418.877
where: short stacking energy: -581.218
Base-Backbone interact. energy: -2.563
local terms energy: -614.833022
where:
bonds (distance) C4'-P energy: -118.989
bonds (distance) P-C4' energy: -116.239
flat angles C4'-P-C4' energy: -134.115
flat angles P-C4'-P energy: -80.145
tors. eta vs tors. theta energy: -165.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1981.689127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.689127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.689127 (E_RNA)
where:
Base-Base interactions energy: -1350.068
where: short stacking energy: -565.012
Base-Backbone interact. energy: -2.042
local terms energy: -629.578643
where:
bonds (distance) C4'-P energy: -107.424
bonds (distance) P-C4' energy: -134.456
flat angles C4'-P-C4' energy: -135.705
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: -168.949
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: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1745.432124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.432124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.432124 (E_RNA)
where:
Base-Base interactions energy: -1203.955
where: short stacking energy: -485.723
Base-Backbone interact. energy: -2.531
local terms energy: -538.945751
where:
bonds (distance) C4'-P energy: -107.393
bonds (distance) P-C4' energy: -107.612
flat angles C4'-P-C4' energy: -124.034
flat angles P-C4'-P energy: -78.984
tors. eta vs tors. theta energy: -120.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1593.813386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.813386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.813386 (E_RNA)
where:
Base-Base interactions energy: -1072.172
where: short stacking energy: -475.759
Base-Backbone interact. energy: -1.977
local terms energy: -519.664080
where:
bonds (distance) C4'-P energy: -88.976
bonds (distance) P-C4' energy: -111.635
flat angles C4'-P-C4' energy: -118.767
flat angles P-C4'-P energy: -73.823
tors. eta vs tors. theta energy: -126.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1403.979879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.979879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.979879 (E_RNA)
where:
Base-Base interactions energy: -892.131
where: short stacking energy: -398.024
Base-Backbone interact. energy: -0.068
local terms energy: -511.781277
where:
bonds (distance) C4'-P energy: -107.653
bonds (distance) P-C4' energy: -126.128
flat angles C4'-P-C4' energy: -115.068
flat angles P-C4'-P energy: -87.883
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: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -851.145109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.145109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.145109 (E_RNA)
where:
Base-Base interactions energy: -459.335
where: short stacking energy: -223.690
Base-Backbone interact. energy: -1.413
local terms energy: -390.397403
where:
bonds (distance) C4'-P energy: -95.905
bonds (distance) P-C4' energy: -113.011
flat angles C4'-P-C4' energy: -109.893
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -16.127
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: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -774.445670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.445670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.445670 (E_RNA)
where:
Base-Base interactions energy: -414.285
where: short stacking energy: -228.031
Base-Backbone interact. energy: -2.274
local terms energy: -357.887033
where:
bonds (distance) C4'-P energy: -98.036
bonds (distance) P-C4' energy: -108.565
flat angles C4'-P-C4' energy: -76.212
flat angles P-C4'-P energy: -64.958
tors. eta vs tors. theta energy: -10.116
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: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2324.973311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.973311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.973311 (E_RNA)
where:
Base-Base interactions energy: -1640.554
where: short stacking energy: -678.594
Base-Backbone interact. energy: -3.959
local terms energy: -680.460345
where:
bonds (distance) C4'-P energy: -114.938
bonds (distance) P-C4' energy: -131.123
flat angles C4'-P-C4' energy: -142.583
flat angles P-C4'-P energy: -115.328
tors. eta vs tors. theta energy: -176.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2253.573654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.573654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.573654 (E_RNA)
where:
Base-Base interactions energy: -1553.447
where: short stacking energy: -645.294
Base-Backbone interact. energy: -2.114
local terms energy: -698.012509
where:
bonds (distance) C4'-P energy: -133.300
bonds (distance) P-C4' energy: -133.424
flat angles C4'-P-C4' energy: -153.290
flat angles P-C4'-P energy: -88.421
tors. eta vs tors. theta energy: -189.577
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: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2187.117767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.117767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.117767 (E_RNA)
where:
Base-Base interactions energy: -1517.801
where: short stacking energy: -617.113
Base-Backbone interact. energy: -3.298
local terms energy: -666.019092
where:
bonds (distance) C4'-P energy: -119.678
bonds (distance) P-C4' energy: -129.767
flat angles C4'-P-C4' energy: -145.485
flat angles P-C4'-P energy: -90.983
tors. eta vs tors. theta energy: -180.106
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2018.513554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.513554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.513554 (E_RNA)
where:
Base-Base interactions energy: -1361.340
where: short stacking energy: -595.865
Base-Backbone interact. energy: -1.793
local terms energy: -655.380630
where:
bonds (distance) C4'-P energy: -130.071
bonds (distance) P-C4' energy: -116.459
flat angles C4'-P-C4' energy: -138.614
flat angles P-C4'-P energy: -101.240
tors. eta vs tors. theta energy: -168.996
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: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1942.777750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.777750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.777750 (E_RNA)
where:
Base-Base interactions energy: -1328.605
where: short stacking energy: -561.211
Base-Backbone interact. energy: 1.384
local terms energy: -615.556537
where:
bonds (distance) C4'-P energy: -111.944
bonds (distance) P-C4' energy: -113.680
flat angles C4'-P-C4' energy: -147.032
flat angles P-C4'-P energy: -84.596
tors. eta vs tors. theta energy: -158.305
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: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1752.443398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.443398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.443398 (E_RNA)
where:
Base-Base interactions energy: -1178.327
where: short stacking energy: -491.282
Base-Backbone interact. energy: -0.738
local terms energy: -573.379217
where:
bonds (distance) C4'-P energy: -110.936
bonds (distance) P-C4' energy: -122.347
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -76.390
tors. eta vs tors. theta energy: -134.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1671.636344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.636344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.636344 (E_RNA)
where:
Base-Base interactions energy: -1127.161
where: short stacking energy: -487.035
Base-Backbone interact. energy: -1.004
local terms energy: -543.471794
where:
bonds (distance) C4'-P energy: -102.064
bonds (distance) P-C4' energy: -122.914
flat angles C4'-P-C4' energy: -116.256
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: -142.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1471.895827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.895827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.895827 (E_RNA)
where:
Base-Base interactions energy: -948.939
where: short stacking energy: -397.572
Base-Backbone interact. energy: 0.628
local terms energy: -523.584912
where:
bonds (distance) C4'-P energy: -111.226
bonds (distance) P-C4' energy: -117.188
flat angles C4'-P-C4' energy: -119.529
flat angles P-C4'-P energy: -80.355
tors. eta vs tors. theta energy: -95.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -869.598779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.598779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.598779 (E_RNA)
where:
Base-Base interactions energy: -476.488
where: short stacking energy: -263.158
Base-Backbone interact. energy: -0.222
local terms energy: -392.889695
where:
bonds (distance) C4'-P energy: -106.716
bonds (distance) P-C4' energy: -108.209
flat angles C4'-P-C4' energy: -86.573
flat angles P-C4'-P energy: -66.580
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -753.483114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.483114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.483114 (E_RNA)
where:
Base-Base interactions energy: -400.508
where: short stacking energy: -207.466
Base-Backbone interact. energy: -2.045
local terms energy: -350.929997
where:
bonds (distance) C4'-P energy: -91.935
bonds (distance) P-C4' energy: -104.621
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -69.845
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: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2336.212335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.212335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.212335 (E_RNA)
where:
Base-Base interactions energy: -1675.962
where: short stacking energy: -671.569
Base-Backbone interact. energy: -6.385
local terms energy: -653.865351
where:
bonds (distance) C4'-P energy: -110.243
bonds (distance) P-C4' energy: -125.132
flat angles C4'-P-C4' energy: -151.691
flat angles P-C4'-P energy: -95.141
tors. eta vs tors. theta energy: -171.658
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: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2255.433990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.433990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.433990 (E_RNA)
where:
Base-Base interactions energy: -1584.809
where: short stacking energy: -655.421
Base-Backbone interact. energy: 0.508
local terms energy: -671.132918
where:
bonds (distance) C4'-P energy: -129.162
bonds (distance) P-C4' energy: -131.071
flat angles C4'-P-C4' energy: -141.292
flat angles P-C4'-P energy: -83.479
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: 236
Temperature: 1.000000
Total energy: -2134.758626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.758626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.758626 (E_RNA)
where:
Base-Base interactions energy: -1472.071
where: short stacking energy: -631.840
Base-Backbone interact. energy: -0.224
local terms energy: -662.463444
where:
bonds (distance) C4'-P energy: -130.177
bonds (distance) P-C4' energy: -128.585
flat angles C4'-P-C4' energy: -141.609
flat angles P-C4'-P energy: -80.479
tors. eta vs tors. theta energy: -181.614
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: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2006.551591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.551591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.551591 (E_RNA)
where:
Base-Base interactions energy: -1342.092
where: short stacking energy: -567.186
Base-Backbone interact. energy: 1.349
local terms energy: -665.808662
where:
bonds (distance) C4'-P energy: -136.510
bonds (distance) P-C4' energy: -128.272
flat angles C4'-P-C4' energy: -140.774
flat angles P-C4'-P energy: -96.109
tors. eta vs tors. theta energy: -164.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1935.826303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.826303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.826303 (E_RNA)
where:
Base-Base interactions energy: -1322.410
where: short stacking energy: -541.362
Base-Backbone interact. energy: -1.739
local terms energy: -611.677344
where:
bonds (distance) C4'-P energy: -125.881
bonds (distance) P-C4' energy: -122.446
flat angles C4'-P-C4' energy: -136.244
flat angles P-C4'-P energy: -76.921
tors. eta vs tors. theta energy: -150.185
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: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1741.624792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.624792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.624792 (E_RNA)
where:
Base-Base interactions energy: -1181.816
where: short stacking energy: -494.792
Base-Backbone interact. energy: -0.218
local terms energy: -559.590994
where:
bonds (distance) C4'-P energy: -119.545
bonds (distance) P-C4' energy: -118.191
flat angles C4'-P-C4' energy: -135.360
flat angles P-C4'-P energy: -61.713
tors. eta vs tors. theta energy: -124.783
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: 236
Temperature: 1.200000
Total energy: -1661.967504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.967504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.967504 (E_RNA)
where:
Base-Base interactions energy: -1114.776
where: short stacking energy: -500.926
Base-Backbone interact. energy: -1.460
local terms energy: -545.731675
where:
bonds (distance) C4'-P energy: -108.462
bonds (distance) P-C4' energy: -116.770
flat angles C4'-P-C4' energy: -120.737
flat angles P-C4'-P energy: -72.153
tors. eta vs tors. theta energy: -127.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1420.755607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.755607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.755607 (E_RNA)
where:
Base-Base interactions energy: -908.657
where: short stacking energy: -425.812
Base-Backbone interact. energy: -2.443
local terms energy: -509.655428
where:
bonds (distance) C4'-P energy: -105.065
bonds (distance) P-C4' energy: -111.759
flat angles C4'-P-C4' energy: -108.814
flat angles P-C4'-P energy: -85.312
tors. eta vs tors. theta energy: -98.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -912.402444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.402444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.402444 (E_RNA)
where:
Base-Base interactions energy: -503.476
where: short stacking energy: -282.911
Base-Backbone interact. energy: 2.117
local terms energy: -411.043045
where:
bonds (distance) C4'-P energy: -102.076
bonds (distance) P-C4' energy: -124.926
flat angles C4'-P-C4' energy: -99.051
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -38.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -761.363571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.363571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.363571 (E_RNA)
where:
Base-Base interactions energy: -378.901
where: short stacking energy: -225.810
Base-Backbone interact. energy: 0.598
local terms energy: -383.060824
where:
bonds (distance) C4'-P energy: -104.397
bonds (distance) P-C4' energy: -97.581
flat angles C4'-P-C4' energy: -112.610
flat angles P-C4'-P energy: -42.928
tors. eta vs tors. theta energy: -25.544
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: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2341.062256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.062256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.062256 (E_RNA)
where:
Base-Base interactions energy: -1639.139
where: short stacking energy: -660.536
Base-Backbone interact. energy: -2.616
local terms energy: -699.307694
where:
bonds (distance) C4'-P energy: -122.516
bonds (distance) P-C4' energy: -141.665
flat angles C4'-P-C4' energy: -146.925
flat angles P-C4'-P energy: -100.455
tors. eta vs tors. theta energy: -187.748
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2230.383529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.383529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.383529 (E_RNA)
where:
Base-Base interactions energy: -1578.188
where: short stacking energy: -645.628
Base-Backbone interact. energy: -1.802
local terms energy: -650.393552
where:
bonds (distance) C4'-P energy: -122.155
bonds (distance) P-C4' energy: -129.067
flat angles C4'-P-C4' energy: -134.470
flat angles P-C4'-P energy: -82.244
tors. eta vs tors. theta energy: -182.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2156.156740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.156740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.156740 (E_RNA)
where:
Base-Base interactions energy: -1487.514
where: short stacking energy: -629.168
Base-Backbone interact. energy: -4.001
local terms energy: -664.641729
where:
bonds (distance) C4'-P energy: -122.121
bonds (distance) P-C4' energy: -124.532
flat angles C4'-P-C4' energy: -150.475
flat angles P-C4'-P energy: -90.808
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: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2033.603845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.603845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.603845 (E_RNA)
where:
Base-Base interactions energy: -1408.087
where: short stacking energy: -592.118
Base-Backbone interact. energy: 3.047
local terms energy: -628.564230
where:
bonds (distance) C4'-P energy: -127.577
bonds (distance) P-C4' energy: -121.354
flat angles C4'-P-C4' energy: -138.984
flat angles P-C4'-P energy: -83.939
tors. eta vs tors. theta energy: -156.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1978.000620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.000620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.000620 (E_RNA)
where:
Base-Base interactions energy: -1330.092
where: short stacking energy: -572.256
Base-Backbone interact. energy: -2.025
local terms energy: -645.883446
where:
bonds (distance) C4'-P energy: -117.190
bonds (distance) P-C4' energy: -127.544
flat angles C4'-P-C4' energy: -132.715
flat angles P-C4'-P energy: -103.152
tors. eta vs tors. theta energy: -165.283
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1706.895857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.895857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.895857 (E_RNA)
where:
Base-Base interactions energy: -1139.620
where: short stacking energy: -493.613
Base-Backbone interact. energy: -0.544
local terms energy: -566.731820
where:
bonds (distance) C4'-P energy: -95.952
bonds (distance) P-C4' energy: -130.462
flat angles C4'-P-C4' energy: -132.808
flat angles P-C4'-P energy: -77.592
tors. eta vs tors. theta energy: -129.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1646.267435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.267435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.267435 (E_RNA)
where:
Base-Base interactions energy: -1094.358
where: short stacking energy: -456.153
Base-Backbone interact. energy: -1.303
local terms energy: -550.606382
where:
bonds (distance) C4'-P energy: -113.394
bonds (distance) P-C4' energy: -106.636
flat angles C4'-P-C4' energy: -133.076
flat angles P-C4'-P energy: -83.034
tors. eta vs tors. theta energy: -114.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1384.824865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.824865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.824865 (E_RNA)
where:
Base-Base interactions energy: -887.071
where: short stacking energy: -376.130
Base-Backbone interact. energy: -1.702
local terms energy: -496.052651
where:
bonds (distance) C4'-P energy: -101.397
bonds (distance) P-C4' energy: -120.782
flat angles C4'-P-C4' energy: -108.994
flat angles P-C4'-P energy: -82.152
tors. eta vs tors. theta energy: -82.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -919.321705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.321705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.321705 (E_RNA)
where:
Base-Base interactions energy: -505.575
where: short stacking energy: -259.572
Base-Backbone interact. energy: -0.674
local terms energy: -413.071790
where:
bonds (distance) C4'-P energy: -114.784
bonds (distance) P-C4' energy: -108.977
flat angles C4'-P-C4' energy: -96.265
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -43.362
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: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -704.046725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.046725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.046725 (E_RNA)
where:
Base-Base interactions energy: -372.073
where: short stacking energy: -184.201
Base-Backbone interact. energy: -1.369
local terms energy: -330.605254
where:
bonds (distance) C4'-P energy: -97.240
bonds (distance) P-C4' energy: -116.403
flat angles C4'-P-C4' energy: -92.643
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: 12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2327.183269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.183269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.183269 (E_RNA)
where:
Base-Base interactions energy: -1630.953
where: short stacking energy: -642.713
Base-Backbone interact. energy: -2.538
local terms energy: -693.692091
where:
bonds (distance) C4'-P energy: -127.162
bonds (distance) P-C4' energy: -138.986
flat angles C4'-P-C4' energy: -152.083
flat angles P-C4'-P energy: -94.476
tors. eta vs tors. theta energy: -180.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2245.902439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.902439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.902439 (E_RNA)
where:
Base-Base interactions energy: -1569.693
where: short stacking energy: -636.113
Base-Backbone interact. energy: -2.320
local terms energy: -673.888949
where:
bonds (distance) C4'-P energy: -128.578
bonds (distance) P-C4' energy: -129.570
flat angles C4'-P-C4' energy: -144.495
flat angles P-C4'-P energy: -96.063
tors. eta vs tors. theta energy: -175.184
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2145.359242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.359242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.359242 (E_RNA)
where:
Base-Base interactions energy: -1503.202
where: short stacking energy: -613.014
Base-Backbone interact. energy: -4.328
local terms energy: -637.828567
where:
bonds (distance) C4'-P energy: -123.065
bonds (distance) P-C4' energy: -116.039
flat angles C4'-P-C4' energy: -138.507
flat angles P-C4'-P energy: -77.901
tors. eta vs tors. theta energy: -182.317
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: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2013.138088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.138088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.138088 (E_RNA)
where:
Base-Base interactions energy: -1394.016
where: short stacking energy: -589.609
Base-Backbone interact. energy: -0.884
local terms energy: -618.237601
where:
bonds (distance) C4'-P energy: -113.339
bonds (distance) P-C4' energy: -110.260
flat angles C4'-P-C4' energy: -137.459
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -165.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1954.282799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.282799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.282799 (E_RNA)
where:
Base-Base interactions energy: -1322.466
where: short stacking energy: -571.558
Base-Backbone interact. energy: -1.639
local terms energy: -630.177516
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -125.785
flat angles C4'-P-C4' energy: -144.270
flat angles P-C4'-P energy: -87.494
tors. eta vs tors. theta energy: -169.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1712.491802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.491802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.491802 (E_RNA)
where:
Base-Base interactions energy: -1143.372
where: short stacking energy: -509.516
Base-Backbone interact. energy: -1.575
local terms energy: -567.545356
where:
bonds (distance) C4'-P energy: -112.761
bonds (distance) P-C4' energy: -116.980
flat angles C4'-P-C4' energy: -121.019
flat angles P-C4'-P energy: -74.482
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: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1659.315234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.315234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.315234 (E_RNA)
where:
Base-Base interactions energy: -1118.429
where: short stacking energy: -457.002
Base-Backbone interact. energy: -0.577
local terms energy: -540.308831
where:
bonds (distance) C4'-P energy: -114.683
bonds (distance) P-C4' energy: -122.530
flat angles C4'-P-C4' energy: -125.766
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -118.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1361.127253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.127253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.127253 (E_RNA)
where:
Base-Base interactions energy: -870.918
where: short stacking energy: -393.079
Base-Backbone interact. energy: -2.355
local terms energy: -487.853920
where:
bonds (distance) C4'-P energy: -98.520
bonds (distance) P-C4' energy: -128.941
flat angles C4'-P-C4' energy: -124.757
flat angles P-C4'-P energy: -62.273
tors. eta vs tors. theta energy: -73.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -932.757318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.757318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.757318 (E_RNA)
where:
Base-Base interactions energy: -512.588
where: short stacking energy: -266.185
Base-Backbone interact. energy: 1.403
local terms energy: -421.572449
where:
bonds (distance) C4'-P energy: -112.963
bonds (distance) P-C4' energy: -114.637
flat angles C4'-P-C4' energy: -89.220
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -744.511582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.511582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.511582 (E_RNA)
where:
Base-Base interactions energy: -373.130
where: short stacking energy: -222.962
Base-Backbone interact. energy: 1.259
local terms energy: -372.640843
where:
bonds (distance) C4'-P energy: -99.180
bonds (distance) P-C4' energy: -128.156
flat angles C4'-P-C4' energy: -96.881
flat angles P-C4'-P energy: -56.697
tors. eta vs tors. theta energy: 8.273
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: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2322.699969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.699969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.699969 (E_RNA)
where:
Base-Base interactions energy: -1640.008
where: short stacking energy: -654.427
Base-Backbone interact. energy: -4.527
local terms energy: -678.165711
where:
bonds (distance) C4'-P energy: -127.038
bonds (distance) P-C4' energy: -129.974
flat angles C4'-P-C4' energy: -135.063
flat angles P-C4'-P energy: -102.077
tors. eta vs tors. theta energy: -184.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2228.668562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.668562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.668562 (E_RNA)
where:
Base-Base interactions energy: -1513.387
where: short stacking energy: -640.558
Base-Backbone interact. energy: -3.798
local terms energy: -711.483335
where:
bonds (distance) C4'-P energy: -133.690
bonds (distance) P-C4' energy: -136.502
flat angles C4'-P-C4' energy: -141.411
flat angles P-C4'-P energy: -111.833
tors. eta vs tors. theta energy: -188.048
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: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2142.325161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.325161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.325161 (E_RNA)
where:
Base-Base interactions energy: -1482.583
where: short stacking energy: -607.699
Base-Backbone interact. energy: -1.844
local terms energy: -657.898142
where:
bonds (distance) C4'-P energy: -114.503
bonds (distance) P-C4' energy: -124.393
flat angles C4'-P-C4' energy: -148.351
flat angles P-C4'-P energy: -96.030
tors. eta vs tors. theta energy: -174.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2044.510964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.510964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.510964 (E_RNA)
where:
Base-Base interactions energy: -1395.083
where: short stacking energy: -573.475
Base-Backbone interact. energy: -4.217
local terms energy: -645.211402
where:
bonds (distance) C4'-P energy: -124.705
bonds (distance) P-C4' energy: -127.336
flat angles C4'-P-C4' energy: -143.159
flat angles P-C4'-P energy: -87.877
tors. eta vs tors. theta energy: -162.133
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: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1948.291198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.291198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.291198 (E_RNA)
where:
Base-Base interactions energy: -1318.016
where: short stacking energy: -566.936
Base-Backbone interact. energy: -2.829
local terms energy: -627.446371
where:
bonds (distance) C4'-P energy: -131.080
bonds (distance) P-C4' energy: -116.014
flat angles C4'-P-C4' energy: -130.444
flat angles P-C4'-P energy: -83.779
tors. eta vs tors. theta energy: -166.129
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1757.700772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.700772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.700772 (E_RNA)
where:
Base-Base interactions energy: -1196.035
where: short stacking energy: -508.432
Base-Backbone interact. energy: 2.522
local terms energy: -564.188133
where:
bonds (distance) C4'-P energy: -111.879
bonds (distance) P-C4' energy: -117.071
flat angles C4'-P-C4' energy: -126.855
flat angles P-C4'-P energy: -72.751
tors. eta vs tors. theta energy: -135.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1633.618167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.618167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.618167 (E_RNA)
where:
Base-Base interactions energy: -1130.302
where: short stacking energy: -493.524
Base-Backbone interact. energy: -1.085
local terms energy: -502.230542
where:
bonds (distance) C4'-P energy: -108.333
bonds (distance) P-C4' energy: -108.817
flat angles C4'-P-C4' energy: -119.642
flat angles P-C4'-P energy: -64.059
tors. eta vs tors. theta energy: -101.379
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: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1317.247715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.247715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.247715 (E_RNA)
where:
Base-Base interactions energy: -855.183
where: short stacking energy: -388.359
Base-Backbone interact. energy: -2.393
local terms energy: -459.671711
where:
bonds (distance) C4'-P energy: -102.216
bonds (distance) P-C4' energy: -106.565
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -53.850
tors. eta vs tors. theta energy: -84.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -905.549688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.549688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.549688 (E_RNA)
where:
Base-Base interactions energy: -470.727
where: short stacking energy: -271.694
Base-Backbone interact. energy: -1.815
local terms energy: -433.007552
where:
bonds (distance) C4'-P energy: -128.173
bonds (distance) P-C4' energy: -102.277
flat angles C4'-P-C4' energy: -105.046
flat angles P-C4'-P energy: -77.565
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -725.908341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.908341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.908341 (E_RNA)
where:
Base-Base interactions energy: -374.720
where: short stacking energy: -217.076
Base-Backbone interact. energy: -4.522
local terms energy: -346.667115
where:
bonds (distance) C4'-P energy: -84.729
bonds (distance) P-C4' energy: -112.236
flat angles C4'-P-C4' energy: -94.420
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2312.873308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.873308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.873308 (E_RNA)
where:
Base-Base interactions energy: -1621.299
where: short stacking energy: -672.032
Base-Backbone interact. energy: -1.631
local terms energy: -689.942876
where:
bonds (distance) C4'-P energy: -128.585
bonds (distance) P-C4' energy: -138.323
flat angles C4'-P-C4' energy: -146.039
flat angles P-C4'-P energy: -99.132
tors. eta vs tors. theta energy: -177.864
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: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2239.992314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.992314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.992314 (E_RNA)
where:
Base-Base interactions energy: -1548.757
where: short stacking energy: -661.138
Base-Backbone interact. energy: -0.381
local terms energy: -690.853838
where:
bonds (distance) C4'-P energy: -124.010
bonds (distance) P-C4' energy: -128.625
flat angles C4'-P-C4' energy: -149.144
flat angles P-C4'-P energy: -86.193
tors. eta vs tors. theta energy: -202.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2086.814409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.814409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.814409 (E_RNA)
where:
Base-Base interactions energy: -1441.443
where: short stacking energy: -557.255
Base-Backbone interact. energy: -4.425
local terms energy: -640.946440
where:
bonds (distance) C4'-P energy: -136.696
bonds (distance) P-C4' energy: -117.689
flat angles C4'-P-C4' energy: -137.514
flat angles P-C4'-P energy: -94.808
tors. eta vs tors. theta energy: -154.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2033.629716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.629716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.629716 (E_RNA)
where:
Base-Base interactions energy: -1401.730
where: short stacking energy: -580.742
Base-Backbone interact. energy: -1.638
local terms energy: -630.260931
where:
bonds (distance) C4'-P energy: -118.040
bonds (distance) P-C4' energy: -126.657
flat angles C4'-P-C4' energy: -141.296
flat angles P-C4'-P energy: -84.627
tors. eta vs tors. theta energy: -159.641
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: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1984.020279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.020279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.020279 (E_RNA)
where:
Base-Base interactions energy: -1366.051
where: short stacking energy: -590.047
Base-Backbone interact. energy: -3.982
local terms energy: -613.987310
where:
bonds (distance) C4'-P energy: -103.063
bonds (distance) P-C4' energy: -115.140
flat angles C4'-P-C4' energy: -140.945
flat angles P-C4'-P energy: -88.443
tors. eta vs tors. theta energy: -166.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1741.879122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.879122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.879122 (E_RNA)
where:
Base-Base interactions energy: -1173.851
where: short stacking energy: -501.451
Base-Backbone interact. energy: -0.441
local terms energy: -567.587279
where:
bonds (distance) C4'-P energy: -117.219
bonds (distance) P-C4' energy: -108.133
flat angles C4'-P-C4' energy: -127.070
flat angles P-C4'-P energy: -75.992
tors. eta vs tors. theta energy: -139.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1646.220214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.220214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.220214 (E_RNA)
where:
Base-Base interactions energy: -1089.443
where: short stacking energy: -474.767
Base-Backbone interact. energy: -0.334
local terms energy: -556.443367
where:
bonds (distance) C4'-P energy: -101.974
bonds (distance) P-C4' energy: -122.359
flat angles C4'-P-C4' energy: -121.635
flat angles P-C4'-P energy: -80.474
tors. eta vs tors. theta energy: -130.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1374.827945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.827945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.827945 (E_RNA)
where:
Base-Base interactions energy: -891.275
where: short stacking energy: -410.124
Base-Backbone interact. energy: -3.714
local terms energy: -479.838992
where:
bonds (distance) C4'-P energy: -103.293
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -116.000
flat angles P-C4'-P energy: -68.327
tors. eta vs tors. theta energy: -85.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -877.557644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.557644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.557644 (E_RNA)
where:
Base-Base interactions energy: -496.178
where: short stacking energy: -274.235
Base-Backbone interact. energy: 2.481
local terms energy: -383.860986
where:
bonds (distance) C4'-P energy: -85.226
bonds (distance) P-C4' energy: -117.700
flat angles C4'-P-C4' energy: -96.002
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -31.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -699.605940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.605940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.605940 (E_RNA)
where:
Base-Base interactions energy: -336.710
where: short stacking energy: -199.646
Base-Backbone interact. energy: -1.457
local terms energy: -361.439388
where:
bonds (distance) C4'-P energy: -110.551
bonds (distance) P-C4' energy: -107.410
flat angles C4'-P-C4' energy: -83.335
flat angles P-C4'-P energy: -62.223
tors. eta vs tors. theta energy: 2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2323.002576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.002576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.002576 (E_RNA)
where:
Base-Base interactions energy: -1640.120
where: short stacking energy: -670.390
Base-Backbone interact. energy: -5.704
local terms energy: -677.178071
where:
bonds (distance) C4'-P energy: -119.118
bonds (distance) P-C4' energy: -125.185
flat angles C4'-P-C4' energy: -148.100
flat angles P-C4'-P energy: -100.408
tors. eta vs tors. theta energy: -184.368
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: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2233.119370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.119370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.119370 (E_RNA)
where:
Base-Base interactions energy: -1541.269
where: short stacking energy: -645.398
Base-Backbone interact. energy: 2.842
local terms energy: -694.692355
where:
bonds (distance) C4'-P energy: -130.835
bonds (distance) P-C4' energy: -124.657
flat angles C4'-P-C4' energy: -143.965
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -189.476
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: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2113.333987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.333987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.333987 (E_RNA)
where:
Base-Base interactions energy: -1463.488
where: short stacking energy: -648.404
Base-Backbone interact. energy: -3.137
local terms energy: -646.708303
where:
bonds (distance) C4'-P energy: -117.512
bonds (distance) P-C4' energy: -121.017
flat angles C4'-P-C4' energy: -144.547
flat angles P-C4'-P energy: -81.445
tors. eta vs tors. theta energy: -182.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2065.042082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.042082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.042082 (E_RNA)
where:
Base-Base interactions energy: -1413.419
where: short stacking energy: -586.007
Base-Backbone interact. energy: -0.628
local terms energy: -650.994688
where:
bonds (distance) C4'-P energy: -125.613
bonds (distance) P-C4' energy: -131.939
flat angles C4'-P-C4' energy: -149.014
flat angles P-C4'-P energy: -87.175
tors. eta vs tors. theta energy: -157.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1947.869395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.869395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.869395 (E_RNA)
where:
Base-Base interactions energy: -1331.337
where: short stacking energy: -571.681
Base-Backbone interact. energy: -2.089
local terms energy: -614.444238
where:
bonds (distance) C4'-P energy: -122.493
bonds (distance) P-C4' energy: -120.048
flat angles C4'-P-C4' energy: -131.168
flat angles P-C4'-P energy: -78.007
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: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1731.848896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.848896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.848896 (E_RNA)
where:
Base-Base interactions energy: -1151.988
where: short stacking energy: -503.149
Base-Backbone interact. energy: -2.946
local terms energy: -576.915324
where:
bonds (distance) C4'-P energy: -108.756
bonds (distance) P-C4' energy: -110.656
flat angles C4'-P-C4' energy: -136.389
flat angles P-C4'-P energy: -89.396
tors. eta vs tors. theta energy: -131.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1607.518526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.518526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.518526 (E_RNA)
where:
Base-Base interactions energy: -1088.240
where: short stacking energy: -456.715
Base-Backbone interact. energy: 5.235
local terms energy: -524.513524
where:
bonds (distance) C4'-P energy: -100.489
bonds (distance) P-C4' energy: -110.422
flat angles C4'-P-C4' energy: -129.887
flat angles P-C4'-P energy: -76.550
tors. eta vs tors. theta energy: -107.165
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: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1361.384156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.384156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.384156 (E_RNA)
where:
Base-Base interactions energy: -895.203
where: short stacking energy: -399.607
Base-Backbone interact. energy: -2.601
local terms energy: -463.580599
where:
bonds (distance) C4'-P energy: -116.039
bonds (distance) P-C4' energy: -111.472
flat angles C4'-P-C4' energy: -100.403
flat angles P-C4'-P energy: -55.704
tors. eta vs tors. theta energy: -79.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -876.844493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.844493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.844493 (E_RNA)
where:
Base-Base interactions energy: -501.693
where: short stacking energy: -265.832
Base-Backbone interact. energy: -1.732
local terms energy: -373.419589
where:
bonds (distance) C4'-P energy: -89.959
bonds (distance) P-C4' energy: -115.041
flat angles C4'-P-C4' energy: -83.185
flat angles P-C4'-P energy: -67.240
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -700.782166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.782166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.782166 (E_RNA)
where:
Base-Base interactions energy: -336.015
where: short stacking energy: -166.574
Base-Backbone interact. energy: -2.245
local terms energy: -362.521847
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -113.225
flat angles C4'-P-C4' energy: -101.505
flat angles P-C4'-P energy: -57.522
tors. eta vs tors. theta energy: 10.773
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2328.816772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.816772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.816772 (E_RNA)
where:
Base-Base interactions energy: -1635.245
where: short stacking energy: -643.371
Base-Backbone interact. energy: -3.314
local terms energy: -690.257330
where:
bonds (distance) C4'-P energy: -138.857
bonds (distance) P-C4' energy: -129.208
flat angles C4'-P-C4' energy: -140.235
flat angles P-C4'-P energy: -105.534
tors. eta vs tors. theta energy: -176.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2285.858187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.858187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.858187 (E_RNA)
where:
Base-Base interactions energy: -1608.315
where: short stacking energy: -669.509
Base-Backbone interact. energy: -0.465
local terms energy: -677.078276
where:
bonds (distance) C4'-P energy: -122.594
bonds (distance) P-C4' energy: -129.205
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -92.748
tors. eta vs tors. theta energy: -182.810
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: 242
Temperature: 1.000000
Total energy: -2123.906696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.906696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.906696 (E_RNA)
where:
Base-Base interactions energy: -1465.572
where: short stacking energy: -613.415
Base-Backbone interact. energy: -4.137
local terms energy: -654.198274
where:
bonds (distance) C4'-P energy: -125.560
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -143.280
flat angles P-C4'-P energy: -95.411
tors. eta vs tors. theta energy: -174.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2053.019722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.019722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.019722 (E_RNA)
where:
Base-Base interactions energy: -1419.269
where: short stacking energy: -596.554
Base-Backbone interact. energy: -2.402
local terms energy: -631.348734
where:
bonds (distance) C4'-P energy: -129.911
bonds (distance) P-C4' energy: -123.966
flat angles C4'-P-C4' energy: -137.218
flat angles P-C4'-P energy: -78.779
tors. eta vs tors. theta energy: -161.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1956.842308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.842308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.842308 (E_RNA)
where:
Base-Base interactions energy: -1334.589
where: short stacking energy: -560.490
Base-Backbone interact. energy: -2.160
local terms energy: -620.093232
where:
bonds (distance) C4'-P energy: -124.125
bonds (distance) P-C4' energy: -111.674
flat angles C4'-P-C4' energy: -149.420
flat angles P-C4'-P energy: -70.441
tors. eta vs tors. theta energy: -164.433
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: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1777.724783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.724783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.724783 (E_RNA)
where:
Base-Base interactions energy: -1193.863
where: short stacking energy: -545.968
Base-Backbone interact. energy: 2.711
local terms energy: -586.573124
where:
bonds (distance) C4'-P energy: -106.483
bonds (distance) P-C4' energy: -120.213
flat angles C4'-P-C4' energy: -125.916
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -153.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1596.707991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.707991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.707991 (E_RNA)
where:
Base-Base interactions energy: -1078.803
where: short stacking energy: -487.380
Base-Backbone interact. energy: -1.095
local terms energy: -516.810355
where:
bonds (distance) C4'-P energy: -122.646
bonds (distance) P-C4' energy: -91.894
flat angles C4'-P-C4' energy: -105.136
flat angles P-C4'-P energy: -74.506
tors. eta vs tors. theta energy: -122.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1381.044084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.044084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.044084 (E_RNA)
where:
Base-Base interactions energy: -895.703
where: short stacking energy: -410.896
Base-Backbone interact. energy: -1.769
local terms energy: -483.572071
where:
bonds (distance) C4'-P energy: -91.104
bonds (distance) P-C4' energy: -110.037
flat angles C4'-P-C4' energy: -121.333
flat angles P-C4'-P energy: -72.125
tors. eta vs tors. theta energy: -88.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -854.642337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.642337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.642337 (E_RNA)
where:
Base-Base interactions energy: -456.274
where: short stacking energy: -236.791
Base-Backbone interact. energy: -4.075
local terms energy: -394.292882
where:
bonds (distance) C4'-P energy: -89.984
bonds (distance) P-C4' energy: -116.037
flat angles C4'-P-C4' energy: -115.766
flat angles P-C4'-P energy: -53.222
tors. eta vs tors. theta energy: -19.284
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: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -802.092034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.092034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.092034 (E_RNA)
where:
Base-Base interactions energy: -400.093
where: short stacking energy: -229.876
Base-Backbone interact. energy: 5.809
local terms energy: -407.808519
where:
bonds (distance) C4'-P energy: -111.561
bonds (distance) P-C4' energy: -103.960
flat angles C4'-P-C4' energy: -122.015
flat angles P-C4'-P energy: -62.189
tors. eta vs tors. theta energy: -8.084
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: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2324.903847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.903847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.903847 (E_RNA)
where:
Base-Base interactions energy: -1660.853
where: short stacking energy: -665.617
Base-Backbone interact. energy: -3.156
local terms energy: -660.895368
where:
bonds (distance) C4'-P energy: -113.482
bonds (distance) P-C4' energy: -127.275
flat angles C4'-P-C4' energy: -145.925
flat angles P-C4'-P energy: -94.974
tors. eta vs tors. theta energy: -179.239
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2271.105374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.105374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.105374 (E_RNA)
where:
Base-Base interactions energy: -1573.966
where: short stacking energy: -649.428
Base-Backbone interact. energy: 0.675
local terms energy: -697.814046
where:
bonds (distance) C4'-P energy: -141.812
bonds (distance) P-C4' energy: -128.520
flat angles C4'-P-C4' energy: -147.412
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -190.892
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: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2153.581804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.581804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.581804 (E_RNA)
where:
Base-Base interactions energy: -1472.646
where: short stacking energy: -630.345
Base-Backbone interact. energy: -2.670
local terms energy: -678.266187
where:
bonds (distance) C4'-P energy: -123.972
bonds (distance) P-C4' energy: -128.857
flat angles C4'-P-C4' energy: -148.811
flat angles P-C4'-P energy: -90.067
tors. eta vs tors. theta energy: -186.559
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: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2057.250348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.250348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.250348 (E_RNA)
where:
Base-Base interactions energy: -1424.812
where: short stacking energy: -586.020
Base-Backbone interact. energy: -5.592
local terms energy: -626.847205
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -109.019
flat angles C4'-P-C4' energy: -146.799
flat angles P-C4'-P energy: -89.149
tors. eta vs tors. theta energy: -166.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1949.790071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.790071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.790071 (E_RNA)
where:
Base-Base interactions energy: -1305.811
where: short stacking energy: -571.693
Base-Backbone interact. energy: -2.558
local terms energy: -641.421927
where:
bonds (distance) C4'-P energy: -127.794
bonds (distance) P-C4' energy: -129.007
flat angles C4'-P-C4' energy: -138.954
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -165.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1759.050283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.050283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.050283 (E_RNA)
where:
Base-Base interactions energy: -1169.194
where: short stacking energy: -525.426
Base-Backbone interact. energy: -2.774
local terms energy: -587.082902
where:
bonds (distance) C4'-P energy: -106.437
bonds (distance) P-C4' energy: -124.421
flat angles C4'-P-C4' energy: -135.789
flat angles P-C4'-P energy: -81.445
tors. eta vs tors. theta energy: -138.991
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: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1613.579366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.579366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.579366 (E_RNA)
where:
Base-Base interactions energy: -1071.902
where: short stacking energy: -463.777
Base-Backbone interact. energy: 0.976
local terms energy: -542.653554
where:
bonds (distance) C4'-P energy: -116.340
bonds (distance) P-C4' energy: -109.976
flat angles C4'-P-C4' energy: -121.382
flat angles P-C4'-P energy: -83.452
tors. eta vs tors. theta energy: -111.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1424.118897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.118897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.118897 (E_RNA)
where:
Base-Base interactions energy: -945.970
where: short stacking energy: -420.071
Base-Backbone interact. energy: -1.221
local terms energy: -476.927525
where:
bonds (distance) C4'-P energy: -95.597
bonds (distance) P-C4' energy: -101.771
flat angles C4'-P-C4' energy: -115.438
flat angles P-C4'-P energy: -75.521
tors. eta vs tors. theta energy: -88.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -777.524550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.524550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.524550 (E_RNA)
where:
Base-Base interactions energy: -407.088
where: short stacking energy: -233.592
Base-Backbone interact. energy: -0.095
local terms energy: -370.341253
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -115.473
flat angles C4'-P-C4' energy: -82.718
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -705.711234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.711234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.711234 (E_RNA)
where:
Base-Base interactions energy: -353.451
where: short stacking energy: -207.891
Base-Backbone interact. energy: -0.578
local terms energy: -351.681833
where:
bonds (distance) C4'-P energy: -117.770
bonds (distance) P-C4' energy: -98.591
flat angles C4'-P-C4' energy: -92.628
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: 5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2316.903795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.903795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.903795 (E_RNA)
where:
Base-Base interactions energy: -1639.919
where: short stacking energy: -656.410
Base-Backbone interact. energy: -4.951
local terms energy: -672.034454
where:
bonds (distance) C4'-P energy: -134.018
bonds (distance) P-C4' energy: -112.692
flat angles C4'-P-C4' energy: -157.346
flat angles P-C4'-P energy: -82.906
tors. eta vs tors. theta energy: -185.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2297.701563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.701563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.701563 (E_RNA)
where:
Base-Base interactions energy: -1618.198
where: short stacking energy: -648.736
Base-Backbone interact. energy: 1.890
local terms energy: -681.394298
where:
bonds (distance) C4'-P energy: -127.923
bonds (distance) P-C4' energy: -124.030
flat angles C4'-P-C4' energy: -154.021
flat angles P-C4'-P energy: -99.194
tors. eta vs tors. theta energy: -176.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2144.281977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.281977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.281977 (E_RNA)
where:
Base-Base interactions energy: -1454.514
where: short stacking energy: -627.048
Base-Backbone interact. energy: -4.836
local terms energy: -684.931690
where:
bonds (distance) C4'-P energy: -121.012
bonds (distance) P-C4' energy: -136.015
flat angles C4'-P-C4' energy: -139.864
flat angles P-C4'-P energy: -104.352
tors. eta vs tors. theta energy: -183.689
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: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2046.173669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.173669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.173669 (E_RNA)
where:
Base-Base interactions energy: -1426.697
where: short stacking energy: -588.292
Base-Backbone interact. energy: 0.124
local terms energy: -619.600461
where:
bonds (distance) C4'-P energy: -127.317
bonds (distance) P-C4' energy: -114.300
flat angles C4'-P-C4' energy: -138.997
flat angles P-C4'-P energy: -76.296
tors. eta vs tors. theta energy: -162.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1997.457570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.457570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.457570 (E_RNA)
where:
Base-Base interactions energy: -1371.384
where: short stacking energy: -602.657
Base-Backbone interact. energy: 0.716
local terms energy: -626.789449
where:
bonds (distance) C4'-P energy: -109.447
bonds (distance) P-C4' energy: -117.714
flat angles C4'-P-C4' energy: -139.426
flat angles P-C4'-P energy: -84.383
tors. eta vs tors. theta energy: -175.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1758.630990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.630990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.630990 (E_RNA)
where:
Base-Base interactions energy: -1173.893
where: short stacking energy: -494.955
Base-Backbone interact. energy: -2.066
local terms energy: -582.672059
where:
bonds (distance) C4'-P energy: -113.110
bonds (distance) P-C4' energy: -128.943
flat angles C4'-P-C4' energy: -123.028
flat angles P-C4'-P energy: -82.306
tors. eta vs tors. theta energy: -135.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1586.613381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.613381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.613381 (E_RNA)
where:
Base-Base interactions energy: -1090.110
where: short stacking energy: -475.373
Base-Backbone interact. energy: -0.159
local terms energy: -496.344148
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -84.712
flat angles C4'-P-C4' energy: -111.768
flat angles P-C4'-P energy: -85.958
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: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1350.291019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.291019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.291019 (E_RNA)
where:
Base-Base interactions energy: -878.992
where: short stacking energy: -393.004
Base-Backbone interact. energy: 1.862
local terms energy: -473.161161
where:
bonds (distance) C4'-P energy: -116.214
bonds (distance) P-C4' energy: -98.471
flat angles C4'-P-C4' energy: -124.839
flat angles P-C4'-P energy: -63.817
tors. eta vs tors. theta energy: -69.820
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: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -800.447451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.447451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.447451 (E_RNA)
where:
Base-Base interactions energy: -430.456
where: short stacking energy: -214.387
Base-Backbone interact. energy: -1.794
local terms energy: -368.197505
where:
bonds (distance) C4'-P energy: -95.240
bonds (distance) P-C4' energy: -100.220
flat angles C4'-P-C4' energy: -114.202
flat angles P-C4'-P energy: -58.309
tors. eta vs tors. theta energy: -0.226
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: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -680.194459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.194459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.194459 (E_RNA)
where:
Base-Base interactions energy: -296.165
where: short stacking energy: -193.093
Base-Backbone interact. energy: 3.452
local terms energy: -387.481527
where:
bonds (distance) C4'-P energy: -99.941
bonds (distance) P-C4' energy: -125.144
flat angles C4'-P-C4' energy: -99.932
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -9.779
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: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2354.542092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.542092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.542092 (E_RNA)
where:
Base-Base interactions energy: -1661.635
where: short stacking energy: -662.589
Base-Backbone interact. energy: -2.447
local terms energy: -690.459633
where:
bonds (distance) C4'-P energy: -126.867
bonds (distance) P-C4' energy: -130.527
flat angles C4'-P-C4' energy: -150.807
flat angles P-C4'-P energy: -100.373
tors. eta vs tors. theta energy: -181.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2301.571694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.571694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.571694 (E_RNA)
where:
Base-Base interactions energy: -1654.419
where: short stacking energy: -659.467
Base-Backbone interact. energy: -4.722
local terms energy: -642.430936
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -110.447
flat angles C4'-P-C4' energy: -138.080
flat angles P-C4'-P energy: -97.252
tors. eta vs tors. theta energy: -178.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2159.603503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.603503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.603503 (E_RNA)
where:
Base-Base interactions energy: -1502.906
where: short stacking energy: -645.076
Base-Backbone interact. energy: -0.867
local terms energy: -655.830842
where:
bonds (distance) C4'-P energy: -110.561
bonds (distance) P-C4' energy: -114.637
flat angles C4'-P-C4' energy: -148.524
flat angles P-C4'-P energy: -101.514
tors. eta vs tors. theta energy: -180.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2011.891125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.891125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.891125 (E_RNA)
where:
Base-Base interactions energy: -1388.590
where: short stacking energy: -590.445
Base-Backbone interact. energy: 3.320
local terms energy: -626.621698
where:
bonds (distance) C4'-P energy: -124.118
bonds (distance) P-C4' energy: -121.822
flat angles C4'-P-C4' energy: -138.765
flat angles P-C4'-P energy: -90.058
tors. eta vs tors. theta energy: -151.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2026.405881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.405881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.405881 (E_RNA)
where:
Base-Base interactions energy: -1389.079
where: short stacking energy: -616.784
Base-Backbone interact. energy: -2.815
local terms energy: -634.511496
where:
bonds (distance) C4'-P energy: -120.806
bonds (distance) P-C4' energy: -119.162
flat angles C4'-P-C4' energy: -139.456
flat angles P-C4'-P energy: -75.639
tors. eta vs tors. theta energy: -179.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1806.101838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.101838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.101838 (E_RNA)
where:
Base-Base interactions energy: -1220.569
where: short stacking energy: -543.693
Base-Backbone interact. energy: -1.883
local terms energy: -583.650201
where:
bonds (distance) C4'-P energy: -122.992
bonds (distance) P-C4' energy: -96.457
flat angles C4'-P-C4' energy: -117.765
flat angles P-C4'-P energy: -92.837
tors. eta vs tors. theta energy: -153.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1644.870854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.870854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.870854 (E_RNA)
where:
Base-Base interactions energy: -1096.578
where: short stacking energy: -464.830
Base-Backbone interact. energy: 0.144
local terms energy: -548.437090
where:
bonds (distance) C4'-P energy: -115.078
bonds (distance) P-C4' energy: -117.693
flat angles C4'-P-C4' energy: -116.430
flat angles P-C4'-P energy: -80.955
tors. eta vs tors. theta energy: -118.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1310.837288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.837288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.837288 (E_RNA)
where:
Base-Base interactions energy: -836.468
where: short stacking energy: -372.515
Base-Backbone interact. energy: -2.842
local terms energy: -471.527456
where:
bonds (distance) C4'-P energy: -96.146
bonds (distance) P-C4' energy: -108.148
flat angles C4'-P-C4' energy: -110.087
flat angles P-C4'-P energy: -79.618
tors. eta vs tors. theta energy: -77.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -790.562293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.562293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.562293 (E_RNA)
where:
Base-Base interactions energy: -442.242
where: short stacking energy: -251.738
Base-Backbone interact. energy: 0.122
local terms energy: -348.443001
where:
bonds (distance) C4'-P energy: -85.594
bonds (distance) P-C4' energy: -97.882
flat angles C4'-P-C4' energy: -96.532
flat angles P-C4'-P energy: -60.864
tors. eta vs tors. theta energy: -7.570
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: 245
Temperature: 1.350000
Total energy: -705.287336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.287336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.287336 (E_RNA)
where:
Base-Base interactions energy: -357.542
where: short stacking energy: -184.170
Base-Backbone interact. energy: 2.204
local terms energy: -349.949159
where:
bonds (distance) C4'-P energy: -104.816
bonds (distance) P-C4' energy: -96.699
flat angles C4'-P-C4' energy: -88.161
flat angles P-C4'-P energy: -69.422
tors. eta vs tors. theta energy: 9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2368.202316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.202316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.202316 (E_RNA)
where:
Base-Base interactions energy: -1650.075
where: short stacking energy: -668.826
Base-Backbone interact. energy: -0.185
local terms energy: -717.942714
where:
bonds (distance) C4'-P energy: -131.005
bonds (distance) P-C4' energy: -137.296
flat angles C4'-P-C4' energy: -155.104
flat angles P-C4'-P energy: -107.180
tors. eta vs tors. theta energy: -187.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2312.649765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.649765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.649765 (E_RNA)
where:
Base-Base interactions energy: -1633.372
where: short stacking energy: -648.398
Base-Backbone interact. energy: -1.037
local terms energy: -678.240989
where:
bonds (distance) C4'-P energy: -135.001
bonds (distance) P-C4' energy: -116.904
flat angles C4'-P-C4' energy: -143.794
flat angles P-C4'-P energy: -97.699
tors. eta vs tors. theta energy: -184.843
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: 246
Temperature: 1.000000
Total energy: -2157.472234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.472234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.472234 (E_RNA)
where:
Base-Base interactions energy: -1516.224
where: short stacking energy: -615.346
Base-Backbone interact. energy: 1.701
local terms energy: -642.948762
where:
bonds (distance) C4'-P energy: -124.988
bonds (distance) P-C4' energy: -117.072
flat angles C4'-P-C4' energy: -138.445
flat angles P-C4'-P energy: -92.583
tors. eta vs tors. theta energy: -169.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2039.879388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.879388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.879388 (E_RNA)
where:
Base-Base interactions energy: -1439.783
where: short stacking energy: -596.157
Base-Backbone interact. energy: 2.022
local terms energy: -602.119158
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -115.751
flat angles C4'-P-C4' energy: -130.228
flat angles P-C4'-P energy: -87.605
tors. eta vs tors. theta energy: -159.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1993.219286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.219286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.219286 (E_RNA)
where:
Base-Base interactions energy: -1356.076
where: short stacking energy: -571.533
Base-Backbone interact. energy: 2.046
local terms energy: -639.189145
where:
bonds (distance) C4'-P energy: -118.378
bonds (distance) P-C4' energy: -122.601
flat angles C4'-P-C4' energy: -135.232
flat angles P-C4'-P energy: -91.497
tors. eta vs tors. theta energy: -171.482
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: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1811.966659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.966659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.966659 (E_RNA)
where:
Base-Base interactions energy: -1231.911
where: short stacking energy: -530.368
Base-Backbone interact. energy: -2.327
local terms energy: -577.728216
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -109.814
flat angles C4'-P-C4' energy: -134.781
flat angles P-C4'-P energy: -67.738
tors. eta vs tors. theta energy: -150.622
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: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1630.250246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.250246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.250246 (E_RNA)
where:
Base-Base interactions energy: -1094.591
where: short stacking energy: -489.895
Base-Backbone interact. energy: -0.167
local terms energy: -535.492418
where:
bonds (distance) C4'-P energy: -108.594
bonds (distance) P-C4' energy: -114.967
flat angles C4'-P-C4' energy: -120.158
flat angles P-C4'-P energy: -80.308
tors. eta vs tors. theta energy: -111.465
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: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1290.537280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.537280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.537280 (E_RNA)
where:
Base-Base interactions energy: -807.183
where: short stacking energy: -355.126
Base-Backbone interact. energy: -2.063
local terms energy: -481.291346
where:
bonds (distance) C4'-P energy: -103.050
bonds (distance) P-C4' energy: -124.476
flat angles C4'-P-C4' energy: -95.035
flat angles P-C4'-P energy: -87.738
tors. eta vs tors. theta energy: -70.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -805.593670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.593670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.593670 (E_RNA)
where:
Base-Base interactions energy: -424.214
where: short stacking energy: -239.822
Base-Backbone interact. energy: 5.943
local terms energy: -387.322447
where:
bonds (distance) C4'-P energy: -107.171
bonds (distance) P-C4' energy: -117.040
flat angles C4'-P-C4' energy: -98.756
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: -1.764
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: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -669.091467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.091467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.091467 (E_RNA)
where:
Base-Base interactions energy: -323.455
where: short stacking energy: -165.814
Base-Backbone interact. energy: 0.320
local terms energy: -345.956485
where:
bonds (distance) C4'-P energy: -116.695
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: 12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2349.662006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.662006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.662006 (E_RNA)
where:
Base-Base interactions energy: -1644.540
where: short stacking energy: -672.558
Base-Backbone interact. energy: -0.545
local terms energy: -704.576792
where:
bonds (distance) C4'-P energy: -130.283
bonds (distance) P-C4' energy: -121.346
flat angles C4'-P-C4' energy: -152.771
flat angles P-C4'-P energy: -103.848
tors. eta vs tors. theta energy: -196.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2258.006437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.006437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.006437 (E_RNA)
where:
Base-Base interactions energy: -1575.613
where: short stacking energy: -636.021
Base-Backbone interact. energy: -1.780
local terms energy: -680.613827
where:
bonds (distance) C4'-P energy: -116.905
bonds (distance) P-C4' energy: -144.023
flat angles C4'-P-C4' energy: -147.021
flat angles P-C4'-P energy: -93.297
tors. eta vs tors. theta energy: -179.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2145.302145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.302145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.302145 (E_RNA)
where:
Base-Base interactions energy: -1494.204
where: short stacking energy: -626.040
Base-Backbone interact. energy: -0.114
local terms energy: -650.984246
where:
bonds (distance) C4'-P energy: -123.294
bonds (distance) P-C4' energy: -117.516
flat angles C4'-P-C4' energy: -141.261
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -179.690
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: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2055.337382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.337382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.337382 (E_RNA)
where:
Base-Base interactions energy: -1386.496
where: short stacking energy: -589.180
Base-Backbone interact. energy: -2.289
local terms energy: -666.552790
where:
bonds (distance) C4'-P energy: -129.054
bonds (distance) P-C4' energy: -115.791
flat angles C4'-P-C4' energy: -138.123
flat angles P-C4'-P energy: -106.829
tors. eta vs tors. theta energy: -176.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1940.605277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.605277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.605277 (E_RNA)
where:
Base-Base interactions energy: -1324.056
where: short stacking energy: -553.291
Base-Backbone interact. energy: -4.785
local terms energy: -611.763819
where:
bonds (distance) C4'-P energy: -114.700
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -141.624
flat angles P-C4'-P energy: -94.679
tors. eta vs tors. theta energy: -147.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1815.935141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.935141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.935141 (E_RNA)
where:
Base-Base interactions energy: -1217.649
where: short stacking energy: -539.155
Base-Backbone interact. energy: -2.869
local terms energy: -595.417708
where:
bonds (distance) C4'-P energy: -111.755
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -136.893
flat angles P-C4'-P energy: -94.836
tors. eta vs tors. theta energy: -156.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1578.864930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.864930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.864930 (E_RNA)
where:
Base-Base interactions energy: -1046.226
where: short stacking energy: -470.758
Base-Backbone interact. energy: -1.270
local terms energy: -531.369127
where:
bonds (distance) C4'-P energy: -96.314
bonds (distance) P-C4' energy: -116.777
flat angles C4'-P-C4' energy: -120.080
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -126.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1282.216047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.216047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.216047 (E_RNA)
where:
Base-Base interactions energy: -821.421
where: short stacking energy: -369.540
Base-Backbone interact. energy: -2.771
local terms energy: -458.023402
where:
bonds (distance) C4'-P energy: -116.958
bonds (distance) P-C4' energy: -116.410
flat angles C4'-P-C4' energy: -110.507
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -72.638
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: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -796.777009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.777009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.777009 (E_RNA)
where:
Base-Base interactions energy: -409.559
where: short stacking energy: -252.001
Base-Backbone interact. energy: 2.201
local terms energy: -389.419093
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -107.624
flat angles C4'-P-C4' energy: -101.698
flat angles P-C4'-P energy: -60.536
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -659.496344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.496344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.496344 (E_RNA)
where:
Base-Base interactions energy: -311.086
where: short stacking energy: -191.487
Base-Backbone interact. energy: 3.674
local terms energy: -352.084025
where:
bonds (distance) C4'-P energy: -105.845
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -93.613
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -0.321
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: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2348.277435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.277435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.277435 (E_RNA)
where:
Base-Base interactions energy: -1619.699
where: short stacking energy: -659.316
Base-Backbone interact. energy: -4.391
local terms energy: -724.187487
where:
bonds (distance) C4'-P energy: -125.140
bonds (distance) P-C4' energy: -139.552
flat angles C4'-P-C4' energy: -157.724
flat angles P-C4'-P energy: -97.715
tors. eta vs tors. theta energy: -204.057
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: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2279.464567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.464567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.464567 (E_RNA)
where:
Base-Base interactions energy: -1651.199
where: short stacking energy: -669.064
Base-Backbone interact. energy: 2.780
local terms energy: -631.045282
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -124.657
flat angles C4'-P-C4' energy: -138.138
flat angles P-C4'-P energy: -83.228
tors. eta vs tors. theta energy: -162.725
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: 248
Temperature: 1.000000
Total energy: -2135.027086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.027086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.027086 (E_RNA)
where:
Base-Base interactions energy: -1468.068
where: short stacking energy: -606.338
Base-Backbone interact. energy: 4.102
local terms energy: -671.061306
where:
bonds (distance) C4'-P energy: -125.000
bonds (distance) P-C4' energy: -141.551
flat angles C4'-P-C4' energy: -139.071
flat angles P-C4'-P energy: -89.920
tors. eta vs tors. theta energy: -175.520
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: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2057.640297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.640297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.640297 (E_RNA)
where:
Base-Base interactions energy: -1405.370
where: short stacking energy: -607.061
Base-Backbone interact. energy: -1.884
local terms energy: -650.386214
where:
bonds (distance) C4'-P energy: -122.158
bonds (distance) P-C4' energy: -108.683
flat angles C4'-P-C4' energy: -144.414
flat angles P-C4'-P energy: -103.585
tors. eta vs tors. theta energy: -171.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1922.432595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.432595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.432595 (E_RNA)
where:
Base-Base interactions energy: -1356.771
where: short stacking energy: -556.779
Base-Backbone interact. energy: -3.031
local terms energy: -562.630489
where:
bonds (distance) C4'-P energy: -119.042
bonds (distance) P-C4' energy: -96.732
flat angles C4'-P-C4' energy: -125.406
flat angles P-C4'-P energy: -79.617
tors. eta vs tors. theta energy: -141.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1761.239347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.239347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.239347 (E_RNA)
where:
Base-Base interactions energy: -1165.336
where: short stacking energy: -498.980
Base-Backbone interact. energy: -2.423
local terms energy: -593.480716
where:
bonds (distance) C4'-P energy: -124.303
bonds (distance) P-C4' energy: -126.899
flat angles C4'-P-C4' energy: -132.217
flat angles P-C4'-P energy: -69.040
tors. eta vs tors. theta energy: -141.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1594.073777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.073777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.073777 (E_RNA)
where:
Base-Base interactions energy: -1028.820
where: short stacking energy: -480.913
Base-Backbone interact. energy: -1.292
local terms energy: -563.962046
where:
bonds (distance) C4'-P energy: -114.281
bonds (distance) P-C4' energy: -121.286
flat angles C4'-P-C4' energy: -120.113
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -130.961
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: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1301.044698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.044698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.044698 (E_RNA)
where:
Base-Base interactions energy: -828.543
where: short stacking energy: -361.495
Base-Backbone interact. energy: 0.477
local terms energy: -472.978308
where:
bonds (distance) C4'-P energy: -109.679
bonds (distance) P-C4' energy: -125.241
flat angles C4'-P-C4' energy: -101.900
flat angles P-C4'-P energy: -71.996
tors. eta vs tors. theta energy: -64.163
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -704.617209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.617209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.617209 (E_RNA)
where:
Base-Base interactions energy: -304.822
where: short stacking energy: -190.156
Base-Backbone interact. energy: 0.638
local terms energy: -400.432811
where:
bonds (distance) C4'-P energy: -113.248
bonds (distance) P-C4' energy: -113.076
flat angles C4'-P-C4' energy: -90.612
flat angles P-C4'-P energy: -63.154
tors. eta vs tors. theta energy: -20.343
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: 248
Temperature: 1.350000
Total energy: -682.488054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.488054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.488054 (E_RNA)
where:
Base-Base interactions energy: -340.999
where: short stacking energy: -179.143
Base-Backbone interact. energy: 5.381
local terms energy: -346.870359
where:
bonds (distance) C4'-P energy: -112.257
bonds (distance) P-C4' energy: -114.604
flat angles C4'-P-C4' energy: -79.263
flat angles P-C4'-P energy: -52.138
tors. eta vs tors. theta energy: 11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2338.900572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.900572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.900572 (E_RNA)
where:
Base-Base interactions energy: -1633.703
where: short stacking energy: -673.196
Base-Backbone interact. energy: 1.444
local terms energy: -706.641639
where:
bonds (distance) C4'-P energy: -134.595
bonds (distance) P-C4' energy: -130.776
flat angles C4'-P-C4' energy: -147.921
flat angles P-C4'-P energy: -107.045
tors. eta vs tors. theta energy: -186.304
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: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2264.202180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.202180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.202180 (E_RNA)
where:
Base-Base interactions energy: -1577.792
where: short stacking energy: -627.638
Base-Backbone interact. energy: -0.937
local terms energy: -685.473402
where:
bonds (distance) C4'-P energy: -136.229
bonds (distance) P-C4' energy: -139.331
flat angles C4'-P-C4' energy: -145.570
flat angles P-C4'-P energy: -103.143
tors. eta vs tors. theta energy: -161.200
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: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2124.769133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.769133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.769133 (E_RNA)
where:
Base-Base interactions energy: -1461.584
where: short stacking energy: -634.636
Base-Backbone interact. energy: 0.689
local terms energy: -663.874293
where:
bonds (distance) C4'-P energy: -118.066
bonds (distance) P-C4' energy: -133.836
flat angles C4'-P-C4' energy: -138.215
flat angles P-C4'-P energy: -92.255
tors. eta vs tors. theta energy: -181.502
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: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2076.651690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.651690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.651690 (E_RNA)
where:
Base-Base interactions energy: -1423.516
where: short stacking energy: -638.362
Base-Backbone interact. energy: -3.219
local terms energy: -649.916997
where:
bonds (distance) C4'-P energy: -107.928
bonds (distance) P-C4' energy: -116.103
flat angles C4'-P-C4' energy: -156.553
flat angles P-C4'-P energy: -87.708
tors. eta vs tors. theta energy: -181.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1906.575947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.575947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.575947 (E_RNA)
where:
Base-Base interactions energy: -1322.103
where: short stacking energy: -537.055
Base-Backbone interact. energy: -4.898
local terms energy: -579.574378
where:
bonds (distance) C4'-P energy: -109.060
bonds (distance) P-C4' energy: -105.407
flat angles C4'-P-C4' energy: -137.136
flat angles P-C4'-P energy: -87.069
tors. eta vs tors. theta energy: -140.903
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: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1746.573051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.573051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.573051 (E_RNA)
where:
Base-Base interactions energy: -1194.547
where: short stacking energy: -518.902
Base-Backbone interact. energy: -1.836
local terms energy: -550.189576
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -116.922
flat angles C4'-P-C4' energy: -119.339
flat angles P-C4'-P energy: -88.644
tors. eta vs tors. theta energy: -133.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1533.082402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.082402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.082402 (E_RNA)
where:
Base-Base interactions energy: -1014.142
where: short stacking energy: -472.033
Base-Backbone interact. energy: 0.341
local terms energy: -519.281181
where:
bonds (distance) C4'-P energy: -97.325
bonds (distance) P-C4' energy: -121.839
flat angles C4'-P-C4' energy: -120.798
flat angles P-C4'-P energy: -73.111
tors. eta vs tors. theta energy: -106.208
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: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1383.270087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.270087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.270087 (E_RNA)
where:
Base-Base interactions energy: -907.582
where: short stacking energy: -408.625
Base-Backbone interact. energy: -2.764
local terms energy: -472.923423
where:
bonds (distance) C4'-P energy: -109.994
bonds (distance) P-C4' energy: -95.131
flat angles C4'-P-C4' energy: -109.109
flat angles P-C4'-P energy: -68.309
tors. eta vs tors. theta energy: -90.381
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: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -755.358556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.358556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.358556 (E_RNA)
where:
Base-Base interactions energy: -393.620
where: short stacking energy: -235.542
Base-Backbone interact. energy: 0.033
local terms energy: -361.771788
where:
bonds (distance) C4'-P energy: -99.963
bonds (distance) P-C4' energy: -96.913
flat angles C4'-P-C4' energy: -102.509
flat angles P-C4'-P energy: -64.627
tors. eta vs tors. theta energy: 2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -704.683535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.683535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.683535 (E_RNA)
where:
Base-Base interactions energy: -346.823
where: short stacking energy: -185.270
Base-Backbone interact. energy: -2.748
local terms energy: -355.112613
where:
bonds (distance) C4'-P energy: -102.211
bonds (distance) P-C4' energy: -98.981
flat angles C4'-P-C4' energy: -88.879
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2337.412658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.412658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.412658 (E_RNA)
where:
Base-Base interactions energy: -1642.443
where: short stacking energy: -689.331
Base-Backbone interact. energy: -2.851
local terms energy: -692.119248
where:
bonds (distance) C4'-P energy: -144.076
bonds (distance) P-C4' energy: -114.780
flat angles C4'-P-C4' energy: -143.603
flat angles P-C4'-P energy: -94.494
tors. eta vs tors. theta energy: -195.166
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: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2281.770907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.770907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.770907 (E_RNA)
where:
Base-Base interactions energy: -1585.247
where: short stacking energy: -650.921
Base-Backbone interact. energy: -2.037
local terms energy: -694.487257
where:
bonds (distance) C4'-P energy: -127.650
bonds (distance) P-C4' energy: -140.432
flat angles C4'-P-C4' energy: -153.016
flat angles P-C4'-P energy: -99.694
tors. eta vs tors. theta energy: -173.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2110.460904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.460904 (E_RNA)
where:
Base-Base interactions energy: -1428.497
where: short stacking energy: -636.057
Base-Backbone interact. energy: -3.616
local terms energy: -678.348074
where:
bonds (distance) C4'-P energy: -132.557
bonds (distance) P-C4' energy: -127.653
flat angles C4'-P-C4' energy: -151.044
flat angles P-C4'-P energy: -81.045
tors. eta vs tors. theta energy: -186.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2026.778732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.778732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.778732 (E_RNA)
where:
Base-Base interactions energy: -1382.825
where: short stacking energy: -601.463
Base-Backbone interact. energy: -2.109
local terms energy: -641.845136
where:
bonds (distance) C4'-P energy: -131.496
bonds (distance) P-C4' energy: -121.282
flat angles C4'-P-C4' energy: -129.921
flat angles P-C4'-P energy: -82.598
tors. eta vs tors. theta energy: -176.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1898.548823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.548823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.548823 (E_RNA)
where:
Base-Base interactions energy: -1307.782
where: short stacking energy: -544.327
Base-Backbone interact. energy: -4.349
local terms energy: -586.417768
where:
bonds (distance) C4'-P energy: -113.435
bonds (distance) P-C4' energy: -121.717
flat angles C4'-P-C4' energy: -130.172
flat angles P-C4'-P energy: -87.524
tors. eta vs tors. theta energy: -133.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1772.199819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.199819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.199819 (E_RNA)
where:
Base-Base interactions energy: -1183.109
where: short stacking energy: -517.634
Base-Backbone interact. energy: -1.736
local terms energy: -587.355324
where:
bonds (distance) C4'-P energy: -110.594
bonds (distance) P-C4' energy: -118.567
flat angles C4'-P-C4' energy: -135.535
flat angles P-C4'-P energy: -76.898
tors. eta vs tors. theta energy: -145.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1432.870297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.870297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.870297 (E_RNA)
where:
Base-Base interactions energy: -935.079
where: short stacking energy: -413.072
Base-Backbone interact. energy: -0.936
local terms energy: -496.855155
where:
bonds (distance) C4'-P energy: -114.254
bonds (distance) P-C4' energy: -119.889
flat angles C4'-P-C4' energy: -110.159
flat angles P-C4'-P energy: -60.790
tors. eta vs tors. theta energy: -91.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1420.668924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.668924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.668924 (E_RNA)
where:
Base-Base interactions energy: -957.654
where: short stacking energy: -401.491
Base-Backbone interact. energy: 0.208
local terms energy: -463.222063
where:
bonds (distance) C4'-P energy: -100.198
bonds (distance) P-C4' energy: -109.693
flat angles C4'-P-C4' energy: -115.829
flat angles P-C4'-P energy: -53.359
tors. eta vs tors. theta energy: -84.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -805.500796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.500796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.500796 (E_RNA)
where:
Base-Base interactions energy: -388.168
where: short stacking energy: -200.369
Base-Backbone interact. energy: 0.904
local terms energy: -418.236137
where:
bonds (distance) C4'-P energy: -117.899
bonds (distance) P-C4' energy: -128.406
flat angles C4'-P-C4' energy: -101.190
flat angles P-C4'-P energy: -55.208
tors. eta vs tors. theta energy: -15.533
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: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -665.739019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.739019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.739019 (E_RNA)
where:
Base-Base interactions energy: -322.515
where: short stacking energy: -175.813
Base-Backbone interact. energy: 0.150
local terms energy: -343.374463
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -116.603
flat angles C4'-P-C4' energy: -102.935
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: 17.286
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: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2347.350561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.350561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.350561 (E_RNA)
where:
Base-Base interactions energy: -1635.942
where: short stacking energy: -682.569
Base-Backbone interact. energy: -0.207
local terms energy: -711.200744
where:
bonds (distance) C4'-P energy: -124.233
bonds (distance) P-C4' energy: -140.066
flat angles C4'-P-C4' energy: -149.141
flat angles P-C4'-P energy: -105.260
tors. eta vs tors. theta energy: -192.501
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: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2274.574895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.574895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.574895 (E_RNA)
where:
Base-Base interactions energy: -1587.754
where: short stacking energy: -637.306
Base-Backbone interact. energy: -3.086
local terms energy: -683.734769
where:
bonds (distance) C4'-P energy: -130.060
bonds (distance) P-C4' energy: -131.069
flat angles C4'-P-C4' energy: -139.640
flat angles P-C4'-P energy: -110.333
tors. eta vs tors. theta energy: -172.633
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: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2130.628787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.628787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.628787 (E_RNA)
where:
Base-Base interactions energy: -1451.195
where: short stacking energy: -624.814
Base-Backbone interact. energy: 0.223
local terms energy: -679.656596
where:
bonds (distance) C4'-P energy: -129.595
bonds (distance) P-C4' energy: -125.375
flat angles C4'-P-C4' energy: -144.604
flat angles P-C4'-P energy: -90.141
tors. eta vs tors. theta energy: -189.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1960.158808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.158808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.158808 (E_RNA)
where:
Base-Base interactions energy: -1340.171
where: short stacking energy: -541.087
Base-Backbone interact. energy: 3.807
local terms energy: -623.794980
where:
bonds (distance) C4'-P energy: -124.812
bonds (distance) P-C4' energy: -125.620
flat angles C4'-P-C4' energy: -139.545
flat angles P-C4'-P energy: -92.665
tors. eta vs tors. theta energy: -141.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1957.634219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.634219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.634219 (E_RNA)
where:
Base-Base interactions energy: -1330.612
where: short stacking energy: -569.664
Base-Backbone interact. energy: -2.490
local terms energy: -624.531498
where:
bonds (distance) C4'-P energy: -131.912
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -131.237
flat angles P-C4'-P energy: -88.245
tors. eta vs tors. theta energy: -163.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1776.958787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.958787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.958787 (E_RNA)
where:
Base-Base interactions energy: -1189.541
where: short stacking energy: -533.252
Base-Backbone interact. energy: 0.801
local terms energy: -588.218066
where:
bonds (distance) C4'-P energy: -122.237
bonds (distance) P-C4' energy: -115.331
flat angles C4'-P-C4' energy: -126.200
flat angles P-C4'-P energy: -85.807
tors. eta vs tors. theta energy: -138.643
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: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1461.753814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.753814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.753814 (E_RNA)
where:
Base-Base interactions energy: -933.908
where: short stacking energy: -410.755
Base-Backbone interact. energy: -2.388
local terms energy: -525.457587
where:
bonds (distance) C4'-P energy: -119.889
bonds (distance) P-C4' energy: -104.864
flat angles C4'-P-C4' energy: -126.474
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -102.676
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: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1362.640061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.640061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.640061 (E_RNA)
where:
Base-Base interactions energy: -883.808
where: short stacking energy: -413.727
Base-Backbone interact. energy: -1.155
local terms energy: -477.677179
where:
bonds (distance) C4'-P energy: -78.336
bonds (distance) P-C4' energy: -121.339
flat angles C4'-P-C4' energy: -129.141
flat angles P-C4'-P energy: -57.665
tors. eta vs tors. theta energy: -91.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -820.759091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.759091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.759091 (E_RNA)
where:
Base-Base interactions energy: -417.242
where: short stacking energy: -219.401
Base-Backbone interact. energy: -4.531
local terms energy: -398.985716
where:
bonds (distance) C4'-P energy: -100.689
bonds (distance) P-C4' energy: -116.495
flat angles C4'-P-C4' energy: -103.478
flat angles P-C4'-P energy: -68.888
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -636.646576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.646576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.646576 (E_RNA)
where:
Base-Base interactions energy: -269.020
where: short stacking energy: -180.466
Base-Backbone interact. energy: 0.137
local terms energy: -367.764197
where:
bonds (distance) C4'-P energy: -100.559
bonds (distance) P-C4' energy: -125.063
flat angles C4'-P-C4' energy: -92.131
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: 3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2358.004453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.004453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.004453 (E_RNA)
where:
Base-Base interactions energy: -1653.907
where: short stacking energy: -685.695
Base-Backbone interact. energy: -2.813
local terms energy: -701.283997
where:
bonds (distance) C4'-P energy: -131.537
bonds (distance) P-C4' energy: -128.270
flat angles C4'-P-C4' energy: -153.354
flat angles P-C4'-P energy: -99.011
tors. eta vs tors. theta energy: -189.112
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: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2288.586393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.586393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.586393 (E_RNA)
where:
Base-Base interactions energy: -1613.383
where: short stacking energy: -662.561
Base-Backbone interact. energy: 0.714
local terms energy: -675.917930
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -133.969
flat angles C4'-P-C4' energy: -135.700
flat angles P-C4'-P energy: -102.984
tors. eta vs tors. theta energy: -184.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2093.115608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.115608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.115608 (E_RNA)
where:
Base-Base interactions energy: -1447.480
where: short stacking energy: -625.686
Base-Backbone interact. energy: -1.587
local terms energy: -644.047918
where:
bonds (distance) C4'-P energy: -113.837
bonds (distance) P-C4' energy: -126.045
flat angles C4'-P-C4' energy: -148.975
flat angles P-C4'-P energy: -77.278
tors. eta vs tors. theta energy: -177.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1943.542145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.542145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.542145 (E_RNA)
where:
Base-Base interactions energy: -1308.859
where: short stacking energy: -546.568
Base-Backbone interact. energy: 2.184
local terms energy: -636.867199
where:
bonds (distance) C4'-P energy: -124.163
bonds (distance) P-C4' energy: -130.265
flat angles C4'-P-C4' energy: -145.343
flat angles P-C4'-P energy: -85.794
tors. eta vs tors. theta energy: -151.302
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1980.180000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.180000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.180000 (E_RNA)
where:
Base-Base interactions energy: -1357.989
where: short stacking energy: -574.115
Base-Backbone interact. energy: 1.756
local terms energy: -623.946532
where:
bonds (distance) C4'-P energy: -118.285
bonds (distance) P-C4' energy: -119.247
flat angles C4'-P-C4' energy: -135.806
flat angles P-C4'-P energy: -90.224
tors. eta vs tors. theta energy: -160.384
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: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1805.629800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.629800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.629800 (E_RNA)
where:
Base-Base interactions energy: -1220.219
where: short stacking energy: -531.814
Base-Backbone interact. energy: 0.981
local terms energy: -586.391574
where:
bonds (distance) C4'-P energy: -111.712
bonds (distance) P-C4' energy: -117.328
flat angles C4'-P-C4' energy: -136.303
flat angles P-C4'-P energy: -69.682
tors. eta vs tors. theta energy: -151.366
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: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1461.289934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.289934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.289934 (E_RNA)
where:
Base-Base interactions energy: -919.902
where: short stacking energy: -427.024
Base-Backbone interact. energy: -1.358
local terms energy: -540.030467
where:
bonds (distance) C4'-P energy: -127.408
bonds (distance) P-C4' energy: -107.851
flat angles C4'-P-C4' energy: -112.149
flat angles P-C4'-P energy: -79.333
tors. eta vs tors. theta energy: -113.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1379.802498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.802498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.802498 (E_RNA)
where:
Base-Base interactions energy: -881.312
where: short stacking energy: -395.997
Base-Backbone interact. energy: 2.975
local terms energy: -501.465769
where:
bonds (distance) C4'-P energy: -100.451
bonds (distance) P-C4' energy: -118.089
flat angles C4'-P-C4' energy: -126.203
flat angles P-C4'-P energy: -63.592
tors. eta vs tors. theta energy: -93.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -817.741099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.741099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.741099 (E_RNA)
where:
Base-Base interactions energy: -434.087
where: short stacking energy: -240.052
Base-Backbone interact. energy: -0.721
local terms energy: -382.932760
where:
bonds (distance) C4'-P energy: -90.694
bonds (distance) P-C4' energy: -102.005
flat angles C4'-P-C4' energy: -100.025
flat angles P-C4'-P energy: -59.609
tors. eta vs tors. theta energy: -30.600
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: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -658.180251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.180251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.180251 (E_RNA)
where:
Base-Base interactions energy: -321.235
where: short stacking energy: -187.661
Base-Backbone interact. energy: 1.194
local terms energy: -338.139585
where:
bonds (distance) C4'-P energy: -98.679
bonds (distance) P-C4' energy: -91.958
flat angles C4'-P-C4' energy: -87.149
flat angles P-C4'-P energy: -59.764
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2344.923772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.923772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.923772 (E_RNA)
where:
Base-Base interactions energy: -1626.685
where: short stacking energy: -661.816
Base-Backbone interact. energy: -1.200
local terms energy: -717.038987
where:
bonds (distance) C4'-P energy: -142.926
bonds (distance) P-C4' energy: -135.922
flat angles C4'-P-C4' energy: -144.640
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -195.977
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: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2279.726722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.726722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.726722 (E_RNA)
where:
Base-Base interactions energy: -1597.613
where: short stacking energy: -635.496
Base-Backbone interact. energy: -1.600
local terms energy: -680.514422
where:
bonds (distance) C4'-P energy: -120.681
bonds (distance) P-C4' energy: -137.299
flat angles C4'-P-C4' energy: -149.487
flat angles P-C4'-P energy: -96.312
tors. eta vs tors. theta energy: -176.735
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: 253
Temperature: 1.000000
Total energy: -2131.472954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.472954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.472954 (E_RNA)
where:
Base-Base interactions energy: -1457.782
where: short stacking energy: -592.066
Base-Backbone interact. energy: 0.109
local terms energy: -673.800022
where:
bonds (distance) C4'-P energy: -129.470
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -144.272
flat angles P-C4'-P energy: -91.607
tors. eta vs tors. theta energy: -182.178
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: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2058.371788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.371788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.371788 (E_RNA)
where:
Base-Base interactions energy: -1395.286
where: short stacking energy: -609.086
Base-Backbone interact. energy: -5.302
local terms energy: -657.783052
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -125.527
flat angles C4'-P-C4' energy: -140.750
flat angles P-C4'-P energy: -80.963
tors. eta vs tors. theta energy: -191.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1916.767718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.767718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.767718 (E_RNA)
where:
Base-Base interactions energy: -1362.429
where: short stacking energy: -582.793
Base-Backbone interact. energy: -1.188
local terms energy: -553.150916
where:
bonds (distance) C4'-P energy: -95.130
bonds (distance) P-C4' energy: -98.627
flat angles C4'-P-C4' energy: -129.204
flat angles P-C4'-P energy: -84.005
tors. eta vs tors. theta energy: -146.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1835.493371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.493371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.493371 (E_RNA)
where:
Base-Base interactions energy: -1236.839
where: short stacking energy: -536.542
Base-Backbone interact. energy: -1.082
local terms energy: -597.572110
where:
bonds (distance) C4'-P energy: -125.924
bonds (distance) P-C4' energy: -116.639
flat angles C4'-P-C4' energy: -125.279
flat angles P-C4'-P energy: -88.454
tors. eta vs tors. theta energy: -141.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1450.307632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.307632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.307632 (E_RNA)
where:
Base-Base interactions energy: -915.121
where: short stacking energy: -413.822
Base-Backbone interact. energy: -1.382
local terms energy: -533.804418
where:
bonds (distance) C4'-P energy: -126.110
bonds (distance) P-C4' energy: -110.301
flat angles C4'-P-C4' energy: -96.818
flat angles P-C4'-P energy: -88.253
tors. eta vs tors. theta energy: -112.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1359.720714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.720714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.720714 (E_RNA)
where:
Base-Base interactions energy: -875.943
where: short stacking energy: -390.923
Base-Backbone interact. energy: -2.261
local terms energy: -481.516714
where:
bonds (distance) C4'-P energy: -104.801
bonds (distance) P-C4' energy: -118.864
flat angles C4'-P-C4' energy: -114.146
flat angles P-C4'-P energy: -63.932
tors. eta vs tors. theta energy: -79.774
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: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -804.657877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.657877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.657877 (E_RNA)
where:
Base-Base interactions energy: -404.570
where: short stacking energy: -252.272
Base-Backbone interact. energy: 0.733
local terms energy: -400.820746
where:
bonds (distance) C4'-P energy: -101.856
bonds (distance) P-C4' energy: -120.495
flat angles C4'-P-C4' energy: -96.936
flat angles P-C4'-P energy: -69.806
tors. eta vs tors. theta energy: -11.728
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: 253
Temperature: 1.350000
Total energy: -668.805449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.805449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.805449 (E_RNA)
where:
Base-Base interactions energy: -328.403
where: short stacking energy: -199.202
Base-Backbone interact. energy: -1.149
local terms energy: -339.253400
where:
bonds (distance) C4'-P energy: -98.435
bonds (distance) P-C4' energy: -104.596
flat angles C4'-P-C4' energy: -81.361
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2344.231066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.231066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.231066 (E_RNA)
where:
Base-Base interactions energy: -1646.214
where: short stacking energy: -669.563
Base-Backbone interact. energy: -4.611
local terms energy: -693.406169
where:
bonds (distance) C4'-P energy: -121.227
bonds (distance) P-C4' energy: -134.545
flat angles C4'-P-C4' energy: -155.181
flat angles P-C4'-P energy: -91.472
tors. eta vs tors. theta energy: -190.981
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: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2292.591603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.591603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.591603 (E_RNA)
where:
Base-Base interactions energy: -1619.872
where: short stacking energy: -651.875
Base-Backbone interact. energy: -6.934
local terms energy: -665.784744
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -134.005
flat angles C4'-P-C4' energy: -149.908
flat angles P-C4'-P energy: -88.071
tors. eta vs tors. theta energy: -182.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2130.127751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.127751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.127751 (E_RNA)
where:
Base-Base interactions energy: -1480.442
where: short stacking energy: -578.633
Base-Backbone interact. energy: -3.665
local terms energy: -646.020515
where:
bonds (distance) C4'-P energy: -129.089
bonds (distance) P-C4' energy: -123.216
flat angles C4'-P-C4' energy: -136.146
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -179.092
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: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1987.859803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.859803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.859803 (E_RNA)
where:
Base-Base interactions energy: -1321.891
where: short stacking energy: -591.473
Base-Backbone interact. energy: -5.229
local terms energy: -660.739688
where:
bonds (distance) C4'-P energy: -127.110
bonds (distance) P-C4' energy: -131.134
flat angles C4'-P-C4' energy: -138.574
flat angles P-C4'-P energy: -89.238
tors. eta vs tors. theta energy: -174.683
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: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1912.259173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.259173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.259173 (E_RNA)
where:
Base-Base interactions energy: -1308.390
where: short stacking energy: -565.166
Base-Backbone interact. energy: -2.510
local terms energy: -601.359422
where:
bonds (distance) C4'-P energy: -108.990
bonds (distance) P-C4' energy: -125.777
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -88.382
tors. eta vs tors. theta energy: -161.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1830.202438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.202438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.202438 (E_RNA)
where:
Base-Base interactions energy: -1227.864
where: short stacking energy: -540.077
Base-Backbone interact. energy: -3.624
local terms energy: -598.714550
where:
bonds (distance) C4'-P energy: -112.988
bonds (distance) P-C4' energy: -125.541
flat angles C4'-P-C4' energy: -129.399
flat angles P-C4'-P energy: -76.985
tors. eta vs tors. theta energy: -153.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1497.961830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.961830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.961830 (E_RNA)
where:
Base-Base interactions energy: -990.210
where: short stacking energy: -425.890
Base-Backbone interact. energy: 0.608
local terms energy: -508.360100
where:
bonds (distance) C4'-P energy: -99.903
bonds (distance) P-C4' energy: -114.177
flat angles C4'-P-C4' energy: -130.653
flat angles P-C4'-P energy: -60.435
tors. eta vs tors. theta energy: -103.193
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: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1401.525520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.525520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.525520 (E_RNA)
where:
Base-Base interactions energy: -897.786
where: short stacking energy: -423.727
Base-Backbone interact. energy: -2.502
local terms energy: -501.237366
where:
bonds (distance) C4'-P energy: -97.906
bonds (distance) P-C4' energy: -109.294
flat angles C4'-P-C4' energy: -111.888
flat angles P-C4'-P energy: -71.387
tors. eta vs tors. theta energy: -110.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -840.160678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.160678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.160678 (E_RNA)
where:
Base-Base interactions energy: -448.831
where: short stacking energy: -246.981
Base-Backbone interact. energy: -1.415
local terms energy: -389.914397
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -112.437
flat angles C4'-P-C4' energy: -104.487
flat angles P-C4'-P energy: -35.599
tors. eta vs tors. theta energy: -33.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -676.302137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.302137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.302137 (E_RNA)
where:
Base-Base interactions energy: -338.617
where: short stacking energy: -197.123
Base-Backbone interact. energy: -3.184
local terms energy: -334.501295
where:
bonds (distance) C4'-P energy: -92.987
bonds (distance) P-C4' energy: -96.141
flat angles C4'-P-C4' energy: -93.179
flat angles P-C4'-P energy: -42.867
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2364.878350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.878350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.878350 (E_RNA)
where:
Base-Base interactions energy: -1642.215
where: short stacking energy: -687.434
Base-Backbone interact. energy: -3.658
local terms energy: -719.005190
where:
bonds (distance) C4'-P energy: -138.560
bonds (distance) P-C4' energy: -123.649
flat angles C4'-P-C4' energy: -147.218
flat angles P-C4'-P energy: -113.234
tors. eta vs tors. theta energy: -196.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2270.345773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.345773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.345773 (E_RNA)
where:
Base-Base interactions energy: -1601.034
where: short stacking energy: -618.831
Base-Backbone interact. energy: -2.638
local terms energy: -666.673507
where:
bonds (distance) C4'-P energy: -119.186
bonds (distance) P-C4' energy: -125.412
flat angles C4'-P-C4' energy: -150.998
flat angles P-C4'-P energy: -90.229
tors. eta vs tors. theta energy: -180.849
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: 255
Temperature: 1.000000
Total energy: -2148.475049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.475049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.475049 (E_RNA)
where:
Base-Base interactions energy: -1472.745
where: short stacking energy: -606.956
Base-Backbone interact. energy: -2.551
local terms energy: -673.178663
where:
bonds (distance) C4'-P energy: -124.176
bonds (distance) P-C4' energy: -135.814
flat angles C4'-P-C4' energy: -142.566
flat angles P-C4'-P energy: -86.769
tors. eta vs tors. theta energy: -183.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2041.686308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.686308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.686308 (E_RNA)
where:
Base-Base interactions energy: -1393.448
where: short stacking energy: -615.502
Base-Backbone interact. energy: -0.991
local terms energy: -647.247395
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -131.199
flat angles C4'-P-C4' energy: -137.300
flat angles P-C4'-P energy: -88.607
tors. eta vs tors. theta energy: -175.087
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: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1877.378436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.378436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.378436 (E_RNA)
where:
Base-Base interactions energy: -1279.558
where: short stacking energy: -559.961
Base-Backbone interact. energy: -0.686
local terms energy: -597.133932
where:
bonds (distance) C4'-P energy: -111.906
bonds (distance) P-C4' energy: -106.625
flat angles C4'-P-C4' energy: -134.744
flat angles P-C4'-P energy: -88.656
tors. eta vs tors. theta energy: -155.203
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: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1806.883335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.883335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.883335 (E_RNA)
where:
Base-Base interactions energy: -1205.116
where: short stacking energy: -515.368
Base-Backbone interact. energy: -3.030
local terms energy: -598.737479
where:
bonds (distance) C4'-P energy: -97.562
bonds (distance) P-C4' energy: -119.984
flat angles C4'-P-C4' energy: -144.282
flat angles P-C4'-P energy: -83.901
tors. eta vs tors. theta energy: -153.009
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: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1430.023724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.023724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.023724 (E_RNA)
where:
Base-Base interactions energy: -928.785
where: short stacking energy: -419.066
Base-Backbone interact. energy: 4.404
local terms energy: -505.642536
where:
bonds (distance) C4'-P energy: -113.468
bonds (distance) P-C4' energy: -114.425
flat angles C4'-P-C4' energy: -115.865
flat angles P-C4'-P energy: -72.027
tors. eta vs tors. theta energy: -89.859
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: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1355.688840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.688840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.688840 (E_RNA)
where:
Base-Base interactions energy: -885.498
where: short stacking energy: -408.434
Base-Backbone interact. energy: -3.474
local terms energy: -466.716909
where:
bonds (distance) C4'-P energy: -102.495
bonds (distance) P-C4' energy: -100.216
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -71.902
tors. eta vs tors. theta energy: -75.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -845.696868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.696868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.696868 (E_RNA)
where:
Base-Base interactions energy: -458.173
where: short stacking energy: -267.605
Base-Backbone interact. energy: -2.325
local terms energy: -385.198804
where:
bonds (distance) C4'-P energy: -100.280
bonds (distance) P-C4' energy: -109.168
flat angles C4'-P-C4' energy: -87.178
flat angles P-C4'-P energy: -64.774
tors. eta vs tors. theta energy: -23.798
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: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -639.303625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.303625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.303625 (E_RNA)
where:
Base-Base interactions energy: -284.190
where: short stacking energy: -195.394
Base-Backbone interact. energy: 1.733
local terms energy: -356.847012
where:
bonds (distance) C4'-P energy: -106.517
bonds (distance) P-C4' energy: -104.129
flat angles C4'-P-C4' energy: -93.260
flat angles P-C4'-P energy: -51.810
tors. eta vs tors. theta energy: -1.131
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: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2342.364295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.364295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.364295 (E_RNA)
where:
Base-Base interactions energy: -1643.563
where: short stacking energy: -682.220
Base-Backbone interact. energy: -0.561
local terms energy: -698.240127
where:
bonds (distance) C4'-P energy: -127.051
bonds (distance) P-C4' energy: -127.621
flat angles C4'-P-C4' energy: -150.361
flat angles P-C4'-P energy: -105.364
tors. eta vs tors. theta energy: -187.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2283.745467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.745467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.745467 (E_RNA)
where:
Base-Base interactions energy: -1616.996
where: short stacking energy: -619.521
Base-Backbone interact. energy: -3.155
local terms energy: -663.594012
where:
bonds (distance) C4'-P energy: -132.610
bonds (distance) P-C4' energy: -138.877
flat angles C4'-P-C4' energy: -127.424
flat angles P-C4'-P energy: -99.504
tors. eta vs tors. theta energy: -165.180
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2139.207124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.207124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.207124 (E_RNA)
where:
Base-Base interactions energy: -1485.870
where: short stacking energy: -647.925
Base-Backbone interact. energy: -0.167
local terms energy: -653.170201
where:
bonds (distance) C4'-P energy: -120.919
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -141.827
flat angles P-C4'-P energy: -75.937
tors. eta vs tors. theta energy: -191.021
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: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2029.216724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.216724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.216724 (E_RNA)
where:
Base-Base interactions energy: -1388.061
where: short stacking energy: -614.377
Base-Backbone interact. energy: 0.215
local terms energy: -641.370939
where:
bonds (distance) C4'-P energy: -114.168
bonds (distance) P-C4' energy: -113.469
flat angles C4'-P-C4' energy: -137.804
flat angles P-C4'-P energy: -96.883
tors. eta vs tors. theta energy: -179.048
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: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1889.805956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.805956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.805956 (E_RNA)
where:
Base-Base interactions energy: -1262.246
where: short stacking energy: -568.900
Base-Backbone interact. energy: -3.159
local terms energy: -624.401295
where:
bonds (distance) C4'-P energy: -114.840
bonds (distance) P-C4' energy: -124.706
flat angles C4'-P-C4' energy: -139.792
flat angles P-C4'-P energy: -69.716
tors. eta vs tors. theta energy: -175.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1783.927550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.927550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.927550 (E_RNA)
where:
Base-Base interactions energy: -1196.495
where: short stacking energy: -488.680
Base-Backbone interact. energy: -1.410
local terms energy: -586.022223
where:
bonds (distance) C4'-P energy: -124.364
bonds (distance) P-C4' energy: -117.043
flat angles C4'-P-C4' energy: -123.419
flat angles P-C4'-P energy: -86.455
tors. eta vs tors. theta energy: -134.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1437.774729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.774729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.774729 (E_RNA)
where:
Base-Base interactions energy: -867.261
where: short stacking energy: -414.916
Base-Backbone interact. energy: -2.827
local terms energy: -567.685804
where:
bonds (distance) C4'-P energy: -135.624
bonds (distance) P-C4' energy: -124.294
flat angles C4'-P-C4' energy: -121.627
flat angles P-C4'-P energy: -81.074
tors. eta vs tors. theta energy: -105.067
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: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1379.744282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.744282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.744282 (E_RNA)
where:
Base-Base interactions energy: -880.943
where: short stacking energy: -405.321
Base-Backbone interact. energy: -1.920
local terms energy: -496.881682
where:
bonds (distance) C4'-P energy: -113.832
bonds (distance) P-C4' energy: -104.453
flat angles C4'-P-C4' energy: -122.349
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -88.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -830.924438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.924438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.924438 (E_RNA)
where:
Base-Base interactions energy: -481.916
where: short stacking energy: -243.880
Base-Backbone interact. energy: 3.833
local terms energy: -352.841481
where:
bonds (distance) C4'-P energy: -97.391
bonds (distance) P-C4' energy: -91.691
flat angles C4'-P-C4' energy: -106.836
flat angles P-C4'-P energy: -45.490
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -638.294553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.294553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.294553 (E_RNA)
where:
Base-Base interactions energy: -298.721
where: short stacking energy: -212.880
Base-Backbone interact. energy: 2.811
local terms energy: -342.384419
where:
bonds (distance) C4'-P energy: -92.875
bonds (distance) P-C4' energy: -97.413
flat angles C4'-P-C4' energy: -91.512
flat angles P-C4'-P energy: -68.667
tors. eta vs tors. theta energy: 8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2320.296410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.296410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.296410 (E_RNA)
where:
Base-Base interactions energy: -1611.048
where: short stacking energy: -654.534
Base-Backbone interact. energy: -1.853
local terms energy: -707.395148
where:
bonds (distance) C4'-P energy: -141.012
bonds (distance) P-C4' energy: -129.762
flat angles C4'-P-C4' energy: -145.681
flat angles P-C4'-P energy: -100.686
tors. eta vs tors. theta energy: -190.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2322.225154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.225154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.225154 (E_RNA)
where:
Base-Base interactions energy: -1644.974
where: short stacking energy: -654.155
Base-Backbone interact. energy: -2.892
local terms energy: -674.358332
where:
bonds (distance) C4'-P energy: -125.193
bonds (distance) P-C4' energy: -136.790
flat angles C4'-P-C4' energy: -145.196
flat angles P-C4'-P energy: -94.150
tors. eta vs tors. theta energy: -173.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2118.594629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.594629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.594629 (E_RNA)
where:
Base-Base interactions energy: -1476.030
where: short stacking energy: -586.115
Base-Backbone interact. energy: -3.565
local terms energy: -638.999805
where:
bonds (distance) C4'-P energy: -124.795
bonds (distance) P-C4' energy: -116.460
flat angles C4'-P-C4' energy: -147.435
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -163.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2012.480608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.480608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.480608 (E_RNA)
where:
Base-Base interactions energy: -1353.008
where: short stacking energy: -598.221
Base-Backbone interact. energy: -4.206
local terms energy: -655.266196
where:
bonds (distance) C4'-P energy: -119.555
bonds (distance) P-C4' energy: -122.765
flat angles C4'-P-C4' energy: -136.724
flat angles P-C4'-P energy: -91.889
tors. eta vs tors. theta energy: -184.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1870.784955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.784955 (E_RNA)
where:
Base-Base interactions energy: -1247.625
where: short stacking energy: -547.922
Base-Backbone interact. energy: -2.626
local terms energy: -620.534739
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -145.697
flat angles P-C4'-P energy: -91.706
tors. eta vs tors. theta energy: -150.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1813.151983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.151983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.151983 (E_RNA)
where:
Base-Base interactions energy: -1272.216
where: short stacking energy: -514.901
Base-Backbone interact. energy: 0.032
local terms energy: -540.967650
where:
bonds (distance) C4'-P energy: -108.384
bonds (distance) P-C4' energy: -107.684
flat angles C4'-P-C4' energy: -131.471
flat angles P-C4'-P energy: -66.757
tors. eta vs tors. theta energy: -126.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1408.373771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.373771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.373771 (E_RNA)
where:
Base-Base interactions energy: -898.359
where: short stacking energy: -402.595
Base-Backbone interact. energy: -2.502
local terms energy: -507.513342
where:
bonds (distance) C4'-P energy: -111.022
bonds (distance) P-C4' energy: -114.529
flat angles C4'-P-C4' energy: -116.000
flat angles P-C4'-P energy: -64.556
tors. eta vs tors. theta energy: -101.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1334.596400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.596400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.596400 (E_RNA)
where:
Base-Base interactions energy: -864.733
where: short stacking energy: -398.607
Base-Backbone interact. energy: -1.388
local terms energy: -468.475140
where:
bonds (distance) C4'-P energy: -92.667
bonds (distance) P-C4' energy: -113.985
flat angles C4'-P-C4' energy: -115.865
flat angles P-C4'-P energy: -61.274
tors. eta vs tors. theta energy: -84.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -845.226987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.226987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.226987 (E_RNA)
where:
Base-Base interactions energy: -470.686
where: short stacking energy: -267.298
Base-Backbone interact. energy: 3.487
local terms energy: -378.028398
where:
bonds (distance) C4'-P energy: -103.452
bonds (distance) P-C4' energy: -100.554
flat angles C4'-P-C4' energy: -89.765
flat angles P-C4'-P energy: -62.249
tors. eta vs tors. theta energy: -22.008
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: 257
Temperature: 1.350000
Total energy: -675.380145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.380145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.380145 (E_RNA)
where:
Base-Base interactions energy: -298.384
where: short stacking energy: -183.148
Base-Backbone interact. energy: -0.361
local terms energy: -376.635087
where:
bonds (distance) C4'-P energy: -95.977
bonds (distance) P-C4' energy: -114.571
flat angles C4'-P-C4' energy: -109.431
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: 6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2326.523854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.523854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.523854 (E_RNA)
where:
Base-Base interactions energy: -1634.049
where: short stacking energy: -680.291
Base-Backbone interact. energy: -0.505
local terms energy: -691.970109
where:
bonds (distance) C4'-P energy: -121.884
bonds (distance) P-C4' energy: -128.136
flat angles C4'-P-C4' energy: -152.560
flat angles P-C4'-P energy: -107.892
tors. eta vs tors. theta energy: -181.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2313.989432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.989432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.989432 (E_RNA)
where:
Base-Base interactions energy: -1630.534
where: short stacking energy: -645.071
Base-Backbone interact. energy: -3.045
local terms energy: -680.410268
where:
bonds (distance) C4'-P energy: -117.198
bonds (distance) P-C4' energy: -130.139
flat angles C4'-P-C4' energy: -150.547
flat angles P-C4'-P energy: -106.336
tors. eta vs tors. theta energy: -176.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2082.709104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.709104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.709104 (E_RNA)
where:
Base-Base interactions energy: -1427.667
where: short stacking energy: -587.446
Base-Backbone interact. energy: -1.477
local terms energy: -653.564697
where:
bonds (distance) C4'-P energy: -120.510
bonds (distance) P-C4' energy: -118.925
flat angles C4'-P-C4' energy: -142.371
flat angles P-C4'-P energy: -101.821
tors. eta vs tors. theta energy: -169.938
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: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2014.260262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.260262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.260262 (E_RNA)
where:
Base-Base interactions energy: -1386.372
where: short stacking energy: -598.307
Base-Backbone interact. energy: -2.616
local terms energy: -625.272212
where:
bonds (distance) C4'-P energy: -123.979
bonds (distance) P-C4' energy: -122.765
flat angles C4'-P-C4' energy: -131.339
flat angles P-C4'-P energy: -80.614
tors. eta vs tors. theta energy: -166.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1880.015505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.015505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.015505 (E_RNA)
where:
Base-Base interactions energy: -1230.352
where: short stacking energy: -554.633
Base-Backbone interact. energy: -2.862
local terms energy: -646.801166
where:
bonds (distance) C4'-P energy: -125.949
bonds (distance) P-C4' energy: -119.081
flat angles C4'-P-C4' energy: -134.390
flat angles P-C4'-P energy: -115.086
tors. eta vs tors. theta energy: -152.296
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: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1837.484785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.484785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.484785 (E_RNA)
where:
Base-Base interactions energy: -1281.209
where: short stacking energy: -513.358
Base-Backbone interact. energy: -4.851
local terms energy: -551.424557
where:
bonds (distance) C4'-P energy: -103.818
bonds (distance) P-C4' energy: -120.089
flat angles C4'-P-C4' energy: -130.929
flat angles P-C4'-P energy: -74.893
tors. eta vs tors. theta energy: -121.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1433.919440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.919440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.919440 (E_RNA)
where:
Base-Base interactions energy: -925.891
where: short stacking energy: -422.487
Base-Backbone interact. energy: -1.381
local terms energy: -506.647158
where:
bonds (distance) C4'-P energy: -107.018
bonds (distance) P-C4' energy: -97.916
flat angles C4'-P-C4' energy: -112.767
flat angles P-C4'-P energy: -91.222
tors. eta vs tors. theta energy: -97.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1387.988745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.988745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.988745 (E_RNA)
where:
Base-Base interactions energy: -889.920
where: short stacking energy: -413.724
Base-Backbone interact. energy: -2.335
local terms energy: -495.733478
where:
bonds (distance) C4'-P energy: -94.745
bonds (distance) P-C4' energy: -115.939
flat angles C4'-P-C4' energy: -119.578
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -93.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -819.040762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.040762 (E_RNA)
where:
Base-Base interactions energy: -447.998
where: short stacking energy: -262.722
Base-Backbone interact. energy: 4.207
local terms energy: -375.249818
where:
bonds (distance) C4'-P energy: -108.240
bonds (distance) P-C4' energy: -103.866
flat angles C4'-P-C4' energy: -83.840
flat angles P-C4'-P energy: -56.244
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -598.521398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.521398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.521398 (E_RNA)
where:
Base-Base interactions energy: -262.354
where: short stacking energy: -171.369
Base-Backbone interact. energy: 0.448
local terms energy: -336.615421
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -112.897
flat angles C4'-P-C4' energy: -91.641
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: 9.244
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: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2330.289945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.289945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.289945 (E_RNA)
where:
Base-Base interactions energy: -1613.674
where: short stacking energy: -678.291
Base-Backbone interact. energy: -0.251
local terms energy: -716.365557
where:
bonds (distance) C4'-P energy: -141.866
bonds (distance) P-C4' energy: -129.295
flat angles C4'-P-C4' energy: -152.327
flat angles P-C4'-P energy: -103.992
tors. eta vs tors. theta energy: -188.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2313.865282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.865282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.865282 (E_RNA)
where:
Base-Base interactions energy: -1645.195
where: short stacking energy: -637.671
Base-Backbone interact. energy: -1.233
local terms energy: -667.436950
where:
bonds (distance) C4'-P energy: -140.727
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -134.171
flat angles P-C4'-P energy: -98.008
tors. eta vs tors. theta energy: -171.947
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: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2093.562845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.562845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.562845 (E_RNA)
where:
Base-Base interactions energy: -1453.358
where: short stacking energy: -595.432
Base-Backbone interact. energy: -2.529
local terms energy: -637.676282
where:
bonds (distance) C4'-P energy: -115.206
bonds (distance) P-C4' energy: -129.222
flat angles C4'-P-C4' energy: -133.810
flat angles P-C4'-P energy: -98.644
tors. eta vs tors. theta energy: -160.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2012.186885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.186885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.186885 (E_RNA)
where:
Base-Base interactions energy: -1376.706
where: short stacking energy: -609.834
Base-Backbone interact. energy: -2.776
local terms energy: -632.705002
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -131.705
flat angles C4'-P-C4' energy: -132.345
flat angles P-C4'-P energy: -92.918
tors. eta vs tors. theta energy: -183.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1914.047631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.047631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.047631 (E_RNA)
where:
Base-Base interactions energy: -1313.638
where: short stacking energy: -562.061
Base-Backbone interact. energy: -1.414
local terms energy: -598.995748
where:
bonds (distance) C4'-P energy: -117.942
bonds (distance) P-C4' energy: -117.063
flat angles C4'-P-C4' energy: -120.518
flat angles P-C4'-P energy: -80.837
tors. eta vs tors. theta energy: -162.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1826.784441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.784441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.784441 (E_RNA)
where:
Base-Base interactions energy: -1257.679
where: short stacking energy: -504.828
Base-Backbone interact. energy: -4.512
local terms energy: -564.594154
where:
bonds (distance) C4'-P energy: -110.094
bonds (distance) P-C4' energy: -119.949
flat angles C4'-P-C4' energy: -132.570
flat angles P-C4'-P energy: -80.594
tors. eta vs tors. theta energy: -121.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1437.132746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.132746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.132746 (E_RNA)
where:
Base-Base interactions energy: -931.054
where: short stacking energy: -443.134
Base-Backbone interact. energy: 0.075
local terms energy: -506.153239
where:
bonds (distance) C4'-P energy: -118.727
bonds (distance) P-C4' energy: -98.354
flat angles C4'-P-C4' energy: -107.731
flat angles P-C4'-P energy: -76.028
tors. eta vs tors. theta energy: -105.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1316.731827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.731827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.731827 (E_RNA)
where:
Base-Base interactions energy: -853.105
where: short stacking energy: -369.838
Base-Backbone interact. energy: -0.367
local terms energy: -463.260072
where:
bonds (distance) C4'-P energy: -109.307
bonds (distance) P-C4' energy: -109.136
flat angles C4'-P-C4' energy: -114.910
flat angles P-C4'-P energy: -61.537
tors. eta vs tors. theta energy: -68.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -842.001741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.001741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.001741 (E_RNA)
where:
Base-Base interactions energy: -448.964
where: short stacking energy: -282.311
Base-Backbone interact. energy: -0.398
local terms energy: -392.639636
where:
bonds (distance) C4'-P energy: -87.913
bonds (distance) P-C4' energy: -111.697
flat angles C4'-P-C4' energy: -100.249
flat angles P-C4'-P energy: -57.686
tors. eta vs tors. theta energy: -35.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -596.341312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.341312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.341312 (E_RNA)
where:
Base-Base interactions energy: -236.044
where: short stacking energy: -177.633
Base-Backbone interact. energy: -4.290
local terms energy: -356.008003
where:
bonds (distance) C4'-P energy: -112.364
bonds (distance) P-C4' energy: -119.988
flat angles C4'-P-C4' energy: -89.319
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: 4.722
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: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2337.989446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.989446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.989446 (E_RNA)
where:
Base-Base interactions energy: -1642.012
where: short stacking energy: -620.608
Base-Backbone interact. energy: -7.265
local terms energy: -688.711806
where:
bonds (distance) C4'-P energy: -136.701
bonds (distance) P-C4' energy: -131.661
flat angles C4'-P-C4' energy: -146.932
flat angles P-C4'-P energy: -102.980
tors. eta vs tors. theta energy: -170.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2286.882558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.882558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.882558 (E_RNA)
where:
Base-Base interactions energy: -1607.622
where: short stacking energy: -664.126
Base-Backbone interact. energy: -4.539
local terms energy: -674.721786
where:
bonds (distance) C4'-P energy: -129.721
bonds (distance) P-C4' energy: -122.202
flat angles C4'-P-C4' energy: -137.678
flat angles P-C4'-P energy: -103.638
tors. eta vs tors. theta energy: -181.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2092.306620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.306620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.306620 (E_RNA)
where:
Base-Base interactions energy: -1456.842
where: short stacking energy: -576.700
Base-Backbone interact. energy: -2.294
local terms energy: -633.170292
where:
bonds (distance) C4'-P energy: -110.878
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -144.717
flat angles P-C4'-P energy: -80.584
tors. eta vs tors. theta energy: -163.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2015.026411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.026411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.026411 (E_RNA)
where:
Base-Base interactions energy: -1397.737
where: short stacking energy: -593.127
Base-Backbone interact. energy: -3.777
local terms energy: -613.512231
where:
bonds (distance) C4'-P energy: -114.456
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -134.892
flat angles P-C4'-P energy: -85.390
tors. eta vs tors. theta energy: -159.551
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: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1947.569982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.569982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.569982 (E_RNA)
where:
Base-Base interactions energy: -1350.301
where: short stacking energy: -572.159
Base-Backbone interact. energy: 3.004
local terms energy: -600.273444
where:
bonds (distance) C4'-P energy: -123.908
bonds (distance) P-C4' energy: -109.438
flat angles C4'-P-C4' energy: -134.616
flat angles P-C4'-P energy: -74.570
tors. eta vs tors. theta energy: -157.742
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: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1828.471136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.471136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.471136 (E_RNA)
where:
Base-Base interactions energy: -1230.154
where: short stacking energy: -511.229
Base-Backbone interact. energy: -2.584
local terms energy: -595.733362
where:
bonds (distance) C4'-P energy: -104.431
bonds (distance) P-C4' energy: -126.003
flat angles C4'-P-C4' energy: -135.013
flat angles P-C4'-P energy: -88.014
tors. eta vs tors. theta energy: -142.273
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1457.372412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.372412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.372412 (E_RNA)
where:
Base-Base interactions energy: -925.218
where: short stacking energy: -419.321
Base-Backbone interact. energy: -2.053
local terms energy: -530.100931
where:
bonds (distance) C4'-P energy: -116.509
bonds (distance) P-C4' energy: -130.336
flat angles C4'-P-C4' energy: -109.918
flat angles P-C4'-P energy: -85.225
tors. eta vs tors. theta energy: -88.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1403.425521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.425521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.425521 (E_RNA)
where:
Base-Base interactions energy: -925.445
where: short stacking energy: -404.888
Base-Backbone interact. energy: -2.377
local terms energy: -475.604144
where:
bonds (distance) C4'-P energy: -105.058
bonds (distance) P-C4' energy: -106.136
flat angles C4'-P-C4' energy: -112.347
flat angles P-C4'-P energy: -66.612
tors. eta vs tors. theta energy: -85.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -830.255938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.255938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.255938 (E_RNA)
where:
Base-Base interactions energy: -425.635
where: short stacking energy: -226.099
Base-Backbone interact. energy: 5.152
local terms energy: -409.773160
where:
bonds (distance) C4'-P energy: -111.849
bonds (distance) P-C4' energy: -116.460
flat angles C4'-P-C4' energy: -99.677
flat angles P-C4'-P energy: -70.028
tors. eta vs tors. theta energy: -11.760
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: 260
Temperature: 1.350000
Total energy: -608.935097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.935097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.935097 (E_RNA)
where:
Base-Base interactions energy: -285.931
where: short stacking energy: -195.431
Base-Backbone interact. energy: 1.351
local terms energy: -324.355674
where:
bonds (distance) C4'-P energy: -91.453
bonds (distance) P-C4' energy: -92.889
flat angles C4'-P-C4' energy: -83.911
flat angles P-C4'-P energy: -52.434
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2363.670919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.670919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.670919 (E_RNA)
where:
Base-Base interactions energy: -1652.759
where: short stacking energy: -654.612
Base-Backbone interact. energy: -2.791
local terms energy: -708.120404
where:
bonds (distance) C4'-P energy: -133.425
bonds (distance) P-C4' energy: -136.973
flat angles C4'-P-C4' energy: -159.400
flat angles P-C4'-P energy: -109.722
tors. eta vs tors. theta energy: -168.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2266.031940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.031940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.031940 (E_RNA)
where:
Base-Base interactions energy: -1586.720
where: short stacking energy: -635.277
Base-Backbone interact. energy: 6.304
local terms energy: -685.616103
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -129.767
flat angles C4'-P-C4' energy: -143.703
flat angles P-C4'-P energy: -97.526
tors. eta vs tors. theta energy: -186.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2118.906636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.906636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.906636 (E_RNA)
where:
Base-Base interactions energy: -1466.610
where: short stacking energy: -592.498
Base-Backbone interact. energy: -3.104
local terms energy: -649.192563
where:
bonds (distance) C4'-P energy: -131.394
bonds (distance) P-C4' energy: -120.603
flat angles C4'-P-C4' energy: -144.156
flat angles P-C4'-P energy: -97.877
tors. eta vs tors. theta energy: -155.163
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: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2018.525674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.525674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.525674 (E_RNA)
where:
Base-Base interactions energy: -1352.700
where: short stacking energy: -582.785
Base-Backbone interact. energy: -1.401
local terms energy: -664.425078
where:
bonds (distance) C4'-P energy: -127.508
bonds (distance) P-C4' energy: -127.635
flat angles C4'-P-C4' energy: -133.066
flat angles P-C4'-P energy: -98.820
tors. eta vs tors. theta energy: -177.396
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: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1926.217366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.217366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.217366 (E_RNA)
where:
Base-Base interactions energy: -1324.451
where: short stacking energy: -564.602
Base-Backbone interact. energy: -2.043
local terms energy: -599.723048
where:
bonds (distance) C4'-P energy: -113.300
bonds (distance) P-C4' energy: -109.641
flat angles C4'-P-C4' energy: -123.783
flat angles P-C4'-P energy: -91.755
tors. eta vs tors. theta energy: -161.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1809.440983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.440983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.440983 (E_RNA)
where:
Base-Base interactions energy: -1240.962
where: short stacking energy: -507.730
Base-Backbone interact. energy: -1.255
local terms energy: -567.224160
where:
bonds (distance) C4'-P energy: -118.669
bonds (distance) P-C4' energy: -112.582
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -79.158
tors. eta vs tors. theta energy: -129.615
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: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1440.393287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.393287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.393287 (E_RNA)
where:
Base-Base interactions energy: -985.593
where: short stacking energy: -449.146
Base-Backbone interact. energy: 6.420
local terms energy: -461.219610
where:
bonds (distance) C4'-P energy: -89.471
bonds (distance) P-C4' energy: -111.656
flat angles C4'-P-C4' energy: -109.568
flat angles P-C4'-P energy: -65.303
tors. eta vs tors. theta energy: -85.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1356.125281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.125281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.125281 (E_RNA)
where:
Base-Base interactions energy: -883.055
where: short stacking energy: -383.279
Base-Backbone interact. energy: -2.925
local terms energy: -470.144987
where:
bonds (distance) C4'-P energy: -91.029
bonds (distance) P-C4' energy: -109.996
flat angles C4'-P-C4' energy: -113.367
flat angles P-C4'-P energy: -72.140
tors. eta vs tors. theta energy: -83.612
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: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -825.704865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.704865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.704865 (E_RNA)
where:
Base-Base interactions energy: -475.333
where: short stacking energy: -242.554
Base-Backbone interact. energy: -1.605
local terms energy: -348.766273
where:
bonds (distance) C4'-P energy: -115.247
bonds (distance) P-C4' energy: -93.900
flat angles C4'-P-C4' energy: -80.091
flat angles P-C4'-P energy: -55.290
tors. eta vs tors. theta energy: -4.237
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: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -678.100271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.100271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.100271 (E_RNA)
where:
Base-Base interactions energy: -303.300
where: short stacking energy: -207.335
Base-Backbone interact. energy: -0.694
local terms energy: -374.105846
where:
bonds (distance) C4'-P energy: -109.769
bonds (distance) P-C4' energy: -113.054
flat angles C4'-P-C4' energy: -93.848
flat angles P-C4'-P energy: -77.185
tors. eta vs tors. theta energy: 19.749
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: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2360.515939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.515939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.515939 (E_RNA)
where:
Base-Base interactions energy: -1669.154
where: short stacking energy: -654.052
Base-Backbone interact. energy: -0.038
local terms energy: -691.324084
where:
bonds (distance) C4'-P energy: -136.682
bonds (distance) P-C4' energy: -137.839
flat angles C4'-P-C4' energy: -142.372
flat angles P-C4'-P energy: -99.710
tors. eta vs tors. theta energy: -174.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2231.885271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.885271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.885271 (E_RNA)
where:
Base-Base interactions energy: -1570.348
where: short stacking energy: -625.299
Base-Backbone interact. energy: -2.731
local terms energy: -658.805780
where:
bonds (distance) C4'-P energy: -113.497
bonds (distance) P-C4' energy: -143.468
flat angles C4'-P-C4' energy: -131.658
flat angles P-C4'-P energy: -97.441
tors. eta vs tors. theta energy: -172.741
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: 262
Temperature: 1.000000
Total energy: -2114.803744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.803744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.803744 (E_RNA)
where:
Base-Base interactions energy: -1477.432
where: short stacking energy: -616.889
Base-Backbone interact. energy: -2.974
local terms energy: -634.397761
where:
bonds (distance) C4'-P energy: -113.129
bonds (distance) P-C4' energy: -124.759
flat angles C4'-P-C4' energy: -145.737
flat angles P-C4'-P energy: -88.878
tors. eta vs tors. theta energy: -161.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2032.100811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.100811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.100811 (E_RNA)
where:
Base-Base interactions energy: -1372.508
where: short stacking energy: -630.737
Base-Backbone interact. energy: -2.754
local terms energy: -656.838729
where:
bonds (distance) C4'-P energy: -115.590
bonds (distance) P-C4' energy: -130.415
flat angles C4'-P-C4' energy: -141.471
flat angles P-C4'-P energy: -88.938
tors. eta vs tors. theta energy: -180.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1937.284414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.284414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.284414 (E_RNA)
where:
Base-Base interactions energy: -1303.932
where: short stacking energy: -560.490
Base-Backbone interact. energy: -1.411
local terms energy: -631.941128
where:
bonds (distance) C4'-P energy: -130.221
bonds (distance) P-C4' energy: -111.603
flat angles C4'-P-C4' energy: -137.789
flat angles P-C4'-P energy: -81.319
tors. eta vs tors. theta energy: -171.009
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: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1760.070508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.070508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.070508 (E_RNA)
where:
Base-Base interactions energy: -1208.630
where: short stacking energy: -528.713
Base-Backbone interact. energy: -3.103
local terms energy: -548.337750
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -119.167
flat angles C4'-P-C4' energy: -123.548
flat angles P-C4'-P energy: -72.247
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1490.066894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.066894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.066894 (E_RNA)
where:
Base-Base interactions energy: -981.278
where: short stacking energy: -467.445
Base-Backbone interact. energy: 1.452
local terms energy: -510.241262
where:
bonds (distance) C4'-P energy: -108.282
bonds (distance) P-C4' energy: -91.477
flat angles C4'-P-C4' energy: -117.432
flat angles P-C4'-P energy: -80.778
tors. eta vs tors. theta energy: -112.272
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: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1362.915153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.915153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.915153 (E_RNA)
where:
Base-Base interactions energy: -888.509
where: short stacking energy: -421.875
Base-Backbone interact. energy: 0.781
local terms energy: -475.187197
where:
bonds (distance) C4'-P energy: -96.168
bonds (distance) P-C4' energy: -107.557
flat angles C4'-P-C4' energy: -109.184
flat angles P-C4'-P energy: -68.707
tors. eta vs tors. theta energy: -93.572
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: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -902.486852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.486852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.486852 (E_RNA)
where:
Base-Base interactions energy: -498.127
where: short stacking energy: -272.720
Base-Backbone interact. energy: -2.123
local terms energy: -402.236635
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -98.711
flat angles C4'-P-C4' energy: -108.480
flat angles P-C4'-P energy: -65.675
tors. eta vs tors. theta energy: -27.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -603.150088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.150088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.150088 (E_RNA)
where:
Base-Base interactions energy: -266.078
where: short stacking energy: -158.798
Base-Backbone interact. energy: 1.258
local terms energy: -338.330300
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -110.433
flat angles C4'-P-C4' energy: -95.028
flat angles P-C4'-P energy: -59.682
tors. eta vs tors. theta energy: 25.152
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: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2365.976805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.976805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.976805 (E_RNA)
where:
Base-Base interactions energy: -1675.237
where: short stacking energy: -649.489
Base-Backbone interact. energy: -1.964
local terms energy: -688.775810
where:
bonds (distance) C4'-P energy: -129.402
bonds (distance) P-C4' energy: -136.021
flat angles C4'-P-C4' energy: -153.653
flat angles P-C4'-P energy: -96.733
tors. eta vs tors. theta energy: -172.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2253.429190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.429190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.429190 (E_RNA)
where:
Base-Base interactions energy: -1574.791
where: short stacking energy: -655.514
Base-Backbone interact. energy: -3.510
local terms energy: -675.128328
where:
bonds (distance) C4'-P energy: -121.516
bonds (distance) P-C4' energy: -132.148
flat angles C4'-P-C4' energy: -142.366
flat angles P-C4'-P energy: -98.084
tors. eta vs tors. theta energy: -181.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2137.285859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.285859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.285859 (E_RNA)
where:
Base-Base interactions energy: -1487.155
where: short stacking energy: -610.246
Base-Backbone interact. energy: -4.492
local terms energy: -645.639091
where:
bonds (distance) C4'-P energy: -118.181
bonds (distance) P-C4' energy: -132.107
flat angles C4'-P-C4' energy: -135.328
flat angles P-C4'-P energy: -90.443
tors. eta vs tors. theta energy: -169.581
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: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2069.622706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.622706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.622706 (E_RNA)
where:
Base-Base interactions energy: -1411.199
where: short stacking energy: -571.076
Base-Backbone interact. energy: -1.552
local terms energy: -656.872081
where:
bonds (distance) C4'-P energy: -121.197
bonds (distance) P-C4' energy: -132.866
flat angles C4'-P-C4' energy: -145.642
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -171.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1975.923989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.923989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.923989 (E_RNA)
where:
Base-Base interactions energy: -1346.729
where: short stacking energy: -600.929
Base-Backbone interact. energy: -0.656
local terms energy: -628.538322
where:
bonds (distance) C4'-P energy: -101.904
bonds (distance) P-C4' energy: -134.976
flat angles C4'-P-C4' energy: -145.495
flat angles P-C4'-P energy: -80.267
tors. eta vs tors. theta energy: -165.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1730.602926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.602926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.602926 (E_RNA)
where:
Base-Base interactions energy: -1154.153
where: short stacking energy: -494.070
Base-Backbone interact. energy: 0.554
local terms energy: -577.003525
where:
bonds (distance) C4'-P energy: -120.734
bonds (distance) P-C4' energy: -117.174
flat angles C4'-P-C4' energy: -142.234
flat angles P-C4'-P energy: -85.585
tors. eta vs tors. theta energy: -111.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1533.066897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.066897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.066897 (E_RNA)
where:
Base-Base interactions energy: -990.542
where: short stacking energy: -451.885
Base-Backbone interact. energy: -2.435
local terms energy: -540.089281
where:
bonds (distance) C4'-P energy: -105.937
bonds (distance) P-C4' energy: -118.717
flat angles C4'-P-C4' energy: -122.732
flat angles P-C4'-P energy: -71.176
tors. eta vs tors. theta energy: -121.528
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: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1335.523567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.523567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.523567 (E_RNA)
where:
Base-Base interactions energy: -825.860
where: short stacking energy: -361.829
Base-Backbone interact. energy: 3.756
local terms energy: -513.419091
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -116.223
flat angles C4'-P-C4' energy: -124.778
flat angles P-C4'-P energy: -75.185
tors. eta vs tors. theta energy: -81.803
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: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -872.758343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.758343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.758343 (E_RNA)
where:
Base-Base interactions energy: -470.059
where: short stacking energy: -248.944
Base-Backbone interact. energy: -2.761
local terms energy: -399.938327
where:
bonds (distance) C4'-P energy: -106.086
bonds (distance) P-C4' energy: -106.564
flat angles C4'-P-C4' energy: -117.761
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -619.999844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.999844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.999844 (E_RNA)
where:
Base-Base interactions energy: -256.102
where: short stacking energy: -168.554
Base-Backbone interact. energy: 5.041
local terms energy: -368.938888
where:
bonds (distance) C4'-P energy: -121.091
bonds (distance) P-C4' energy: -109.661
flat angles C4'-P-C4' energy: -89.691
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2364.449512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.449512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.449512 (E_RNA)
where:
Base-Base interactions energy: -1665.552
where: short stacking energy: -667.760
Base-Backbone interact. energy: -3.293
local terms energy: -695.604224
where:
bonds (distance) C4'-P energy: -127.042
bonds (distance) P-C4' energy: -133.302
flat angles C4'-P-C4' energy: -149.504
flat angles P-C4'-P energy: -102.385
tors. eta vs tors. theta energy: -183.372
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: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2248.109882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.109882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.109882 (E_RNA)
where:
Base-Base interactions energy: -1554.071
where: short stacking energy: -655.083
Base-Backbone interact. energy: -1.884
local terms energy: -692.154684
where:
bonds (distance) C4'-P energy: -125.467
bonds (distance) P-C4' energy: -138.687
flat angles C4'-P-C4' energy: -136.603
flat angles P-C4'-P energy: -110.238
tors. eta vs tors. theta energy: -181.160
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2125.086645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.086645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.086645 (E_RNA)
where:
Base-Base interactions energy: -1467.496
where: short stacking energy: -608.907
Base-Backbone interact. energy: -0.502
local terms energy: -657.088814
where:
bonds (distance) C4'-P energy: -121.425
bonds (distance) P-C4' energy: -131.376
flat angles C4'-P-C4' energy: -141.037
flat angles P-C4'-P energy: -102.425
tors. eta vs tors. theta energy: -160.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2034.004422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.004422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.004422 (E_RNA)
where:
Base-Base interactions energy: -1387.638
where: short stacking energy: -618.295
Base-Backbone interact. energy: -1.098
local terms energy: -645.268148
where:
bonds (distance) C4'-P energy: -114.799
bonds (distance) P-C4' energy: -117.395
flat angles C4'-P-C4' energy: -144.014
flat angles P-C4'-P energy: -82.555
tors. eta vs tors. theta energy: -186.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1964.269029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.269029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.269029 (E_RNA)
where:
Base-Base interactions energy: -1333.966
where: short stacking energy: -579.842
Base-Backbone interact. energy: -3.009
local terms energy: -627.293551
where:
bonds (distance) C4'-P energy: -105.826
bonds (distance) P-C4' energy: -117.557
flat angles C4'-P-C4' energy: -127.476
flat angles P-C4'-P energy: -98.970
tors. eta vs tors. theta energy: -177.465
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: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1714.921283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.921283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.921283 (E_RNA)
where:
Base-Base interactions energy: -1140.479
where: short stacking energy: -464.116
Base-Backbone interact. energy: -1.299
local terms energy: -573.142945
where:
bonds (distance) C4'-P energy: -128.811
bonds (distance) P-C4' energy: -125.051
flat angles C4'-P-C4' energy: -120.328
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -122.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1523.846011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.846011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.846011 (E_RNA)
where:
Base-Base interactions energy: -976.501
where: short stacking energy: -433.393
Base-Backbone interact. energy: 2.113
local terms energy: -549.458154
where:
bonds (distance) C4'-P energy: -127.173
bonds (distance) P-C4' energy: -118.950
flat angles C4'-P-C4' energy: -126.699
flat angles P-C4'-P energy: -74.466
tors. eta vs tors. theta energy: -102.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1300.544168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.544168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.544168 (E_RNA)
where:
Base-Base interactions energy: -815.083
where: short stacking energy: -383.202
Base-Backbone interact. energy: -3.781
local terms energy: -481.680115
where:
bonds (distance) C4'-P energy: -92.686
bonds (distance) P-C4' energy: -109.441
flat angles C4'-P-C4' energy: -128.295
flat angles P-C4'-P energy: -72.691
tors. eta vs tors. theta energy: -78.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -823.518099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.518099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.518099 (E_RNA)
where:
Base-Base interactions energy: -454.204
where: short stacking energy: -236.061
Base-Backbone interact. energy: 0.056
local terms energy: -369.369623
where:
bonds (distance) C4'-P energy: -103.020
bonds (distance) P-C4' energy: -110.865
flat angles C4'-P-C4' energy: -89.552
flat angles P-C4'-P energy: -57.532
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -677.693759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.693759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.693759 (E_RNA)
where:
Base-Base interactions energy: -337.580
where: short stacking energy: -181.360
Base-Backbone interact. energy: 0.961
local terms energy: -341.074942
where:
bonds (distance) C4'-P energy: -114.262
bonds (distance) P-C4' energy: -99.673
flat angles C4'-P-C4' energy: -94.949
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: 26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2381.284736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.284736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.284736 (E_RNA)
where:
Base-Base interactions energy: -1700.501
where: short stacking energy: -685.235
Base-Backbone interact. energy: -3.922
local terms energy: -676.861420
where:
bonds (distance) C4'-P energy: -134.725
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -143.199
flat angles P-C4'-P energy: -96.928
tors. eta vs tors. theta energy: -177.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2240.109654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.109654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.109654 (E_RNA)
where:
Base-Base interactions energy: -1567.140
where: short stacking energy: -650.183
Base-Backbone interact. energy: -1.230
local terms energy: -671.739262
where:
bonds (distance) C4'-P energy: -117.505
bonds (distance) P-C4' energy: -143.134
flat angles C4'-P-C4' energy: -140.386
flat angles P-C4'-P energy: -89.529
tors. eta vs tors. theta energy: -181.185
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: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2146.088302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.088302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.088302 (E_RNA)
where:
Base-Base interactions energy: -1518.936
where: short stacking energy: -642.075
Base-Backbone interact. energy: -0.667
local terms energy: -626.485230
where:
bonds (distance) C4'-P energy: -105.190
bonds (distance) P-C4' energy: -119.571
flat angles C4'-P-C4' energy: -138.961
flat angles P-C4'-P energy: -84.945
tors. eta vs tors. theta energy: -177.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2022.108603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.108603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.108603 (E_RNA)
where:
Base-Base interactions energy: -1372.295
where: short stacking energy: -600.254
Base-Backbone interact. energy: 0.408
local terms energy: -650.221684
where:
bonds (distance) C4'-P energy: -107.777
bonds (distance) P-C4' energy: -138.053
flat angles C4'-P-C4' energy: -143.241
flat angles P-C4'-P energy: -86.810
tors. eta vs tors. theta energy: -174.340
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1944.070562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.070562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.070562 (E_RNA)
where:
Base-Base interactions energy: -1348.239
where: short stacking energy: -558.964
Base-Backbone interact. energy: -4.059
local terms energy: -591.773260
where:
bonds (distance) C4'-P energy: -101.583
bonds (distance) P-C4' energy: -121.023
flat angles C4'-P-C4' energy: -124.727
flat angles P-C4'-P energy: -85.802
tors. eta vs tors. theta energy: -158.638
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: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1757.497718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.497718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.497718 (E_RNA)
where:
Base-Base interactions energy: -1194.806
where: short stacking energy: -515.447
Base-Backbone interact. energy: 3.707
local terms energy: -566.398615
where:
bonds (distance) C4'-P energy: -103.584
bonds (distance) P-C4' energy: -119.408
flat angles C4'-P-C4' energy: -137.839
flat angles P-C4'-P energy: -69.462
tors. eta vs tors. theta energy: -136.105
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: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1548.254603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.254603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.254603 (E_RNA)
where:
Base-Base interactions energy: -1012.505
where: short stacking energy: -449.361
Base-Backbone interact. energy: -3.968
local terms energy: -531.781833
where:
bonds (distance) C4'-P energy: -102.615
bonds (distance) P-C4' energy: -126.051
flat angles C4'-P-C4' energy: -112.871
flat angles P-C4'-P energy: -68.322
tors. eta vs tors. theta energy: -121.922
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: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1280.194299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.194299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.194299 (E_RNA)
where:
Base-Base interactions energy: -810.578
where: short stacking energy: -385.999
Base-Backbone interact. energy: 0.109
local terms energy: -469.725780
where:
bonds (distance) C4'-P energy: -103.530
bonds (distance) P-C4' energy: -104.184
flat angles C4'-P-C4' energy: -125.742
flat angles P-C4'-P energy: -73.028
tors. eta vs tors. theta energy: -63.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -850.343083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.343083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.343083 (E_RNA)
where:
Base-Base interactions energy: -448.835
where: short stacking energy: -247.184
Base-Backbone interact. energy: -2.067
local terms energy: -399.441125
where:
bonds (distance) C4'-P energy: -106.693
bonds (distance) P-C4' energy: -102.091
flat angles C4'-P-C4' energy: -95.491
flat angles P-C4'-P energy: -74.816
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -779.764559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.764559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.764559 (E_RNA)
where:
Base-Base interactions energy: -434.855
where: short stacking energy: -240.116
Base-Backbone interact. energy: -0.492
local terms energy: -344.418077
where:
bonds (distance) C4'-P energy: -74.906
bonds (distance) P-C4' energy: -107.369
flat angles C4'-P-C4' energy: -103.246
flat angles P-C4'-P energy: -63.547
tors. eta vs tors. theta energy: 4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2354.292090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.292090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.292090 (E_RNA)
where:
Base-Base interactions energy: -1658.057
where: short stacking energy: -639.156
Base-Backbone interact. energy: -2.823
local terms energy: -693.411626
where:
bonds (distance) C4'-P energy: -135.722
bonds (distance) P-C4' energy: -130.854
flat angles C4'-P-C4' energy: -140.130
flat angles P-C4'-P energy: -108.527
tors. eta vs tors. theta energy: -178.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2246.462618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.462618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.462618 (E_RNA)
where:
Base-Base interactions energy: -1562.002
where: short stacking energy: -650.754
Base-Backbone interact. energy: -0.875
local terms energy: -683.586248
where:
bonds (distance) C4'-P energy: -124.826
bonds (distance) P-C4' energy: -130.984
flat angles C4'-P-C4' energy: -156.890
flat angles P-C4'-P energy: -86.102
tors. eta vs tors. theta energy: -184.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2125.944138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.944138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.944138 (E_RNA)
where:
Base-Base interactions energy: -1466.312
where: short stacking energy: -625.960
Base-Backbone interact. energy: -0.957
local terms energy: -658.675281
where:
bonds (distance) C4'-P energy: -118.829
bonds (distance) P-C4' energy: -126.770
flat angles C4'-P-C4' energy: -141.697
flat angles P-C4'-P energy: -95.704
tors. eta vs tors. theta energy: -175.675
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: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2034.804566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.804566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.804566 (E_RNA)
where:
Base-Base interactions energy: -1387.062
where: short stacking energy: -615.299
Base-Backbone interact. energy: -1.737
local terms energy: -646.005890
where:
bonds (distance) C4'-P energy: -126.042
bonds (distance) P-C4' energy: -124.386
flat angles C4'-P-C4' energy: -125.991
flat angles P-C4'-P energy: -94.957
tors. eta vs tors. theta energy: -174.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1953.074140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.074140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.074140 (E_RNA)
where:
Base-Base interactions energy: -1332.192
where: short stacking energy: -569.533
Base-Backbone interact. energy: -2.679
local terms energy: -618.202694
where:
bonds (distance) C4'-P energy: -106.389
bonds (distance) P-C4' energy: -114.941
flat angles C4'-P-C4' energy: -133.531
flat angles P-C4'-P energy: -92.964
tors. eta vs tors. theta energy: -170.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1801.351838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.351838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.351838 (E_RNA)
where:
Base-Base interactions energy: -1237.607
where: short stacking energy: -516.031
Base-Backbone interact. energy: -3.661
local terms energy: -560.083439
where:
bonds (distance) C4'-P energy: -108.120
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -127.889
flat angles P-C4'-P energy: -79.937
tors. eta vs tors. theta energy: -129.592
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: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1575.507067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.507067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.507067 (E_RNA)
where:
Base-Base interactions energy: -1015.656
where: short stacking energy: -448.400
Base-Backbone interact. energy: 0.073
local terms energy: -559.923932
where:
bonds (distance) C4'-P energy: -127.639
bonds (distance) P-C4' energy: -101.787
flat angles C4'-P-C4' energy: -134.434
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -121.130
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: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1175.102668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.102668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.102668 (E_RNA)
where:
Base-Base interactions energy: -737.683
where: short stacking energy: -337.374
Base-Backbone interact. energy: 1.612
local terms energy: -439.031835
where:
bonds (distance) C4'-P energy: -110.111
bonds (distance) P-C4' energy: -103.413
flat angles C4'-P-C4' energy: -98.986
flat angles P-C4'-P energy: -73.714
tors. eta vs tors. theta energy: -52.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -841.531798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.531798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.531798 (E_RNA)
where:
Base-Base interactions energy: -442.703
where: short stacking energy: -223.914
Base-Backbone interact. energy: -3.552
local terms energy: -395.277046
where:
bonds (distance) C4'-P energy: -105.316
bonds (distance) P-C4' energy: -112.715
flat angles C4'-P-C4' energy: -97.432
flat angles P-C4'-P energy: -66.260
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -758.153631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.153631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.153631 (E_RNA)
where:
Base-Base interactions energy: -396.249
where: short stacking energy: -207.492
Base-Backbone interact. energy: -2.083
local terms energy: -359.821877
where:
bonds (distance) C4'-P energy: -98.927
bonds (distance) P-C4' energy: -106.326
flat angles C4'-P-C4' energy: -98.989
flat angles P-C4'-P energy: -64.226
tors. eta vs tors. theta energy: 8.646
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: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2342.036444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.036444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.036444 (E_RNA)
where:
Base-Base interactions energy: -1657.800
where: short stacking energy: -641.951
Base-Backbone interact. energy: -3.804
local terms energy: -680.432094
where:
bonds (distance) C4'-P energy: -133.152
bonds (distance) P-C4' energy: -137.053
flat angles C4'-P-C4' energy: -139.299
flat angles P-C4'-P energy: -101.151
tors. eta vs tors. theta energy: -169.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2244.121959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.121959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.121959 (E_RNA)
where:
Base-Base interactions energy: -1573.264
where: short stacking energy: -641.261
Base-Backbone interact. energy: -6.743
local terms energy: -664.114397
where:
bonds (distance) C4'-P energy: -132.003
bonds (distance) P-C4' energy: -116.872
flat angles C4'-P-C4' energy: -148.035
flat angles P-C4'-P energy: -85.709
tors. eta vs tors. theta energy: -181.496
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: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2141.029592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.029592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.029592 (E_RNA)
where:
Base-Base interactions energy: -1485.756
where: short stacking energy: -623.679
Base-Backbone interact. energy: -2.322
local terms energy: -652.951815
where:
bonds (distance) C4'-P energy: -115.156
bonds (distance) P-C4' energy: -130.979
flat angles C4'-P-C4' energy: -144.073
flat angles P-C4'-P energy: -87.762
tors. eta vs tors. theta energy: -174.981
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: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2007.004932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.004932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.004932 (E_RNA)
where:
Base-Base interactions energy: -1383.399
where: short stacking energy: -603.729
Base-Backbone interact. energy: -1.989
local terms energy: -621.616185
where:
bonds (distance) C4'-P energy: -112.261
bonds (distance) P-C4' energy: -118.858
flat angles C4'-P-C4' energy: -144.429
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -174.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1963.272159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.272159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.272159 (E_RNA)
where:
Base-Base interactions energy: -1351.723
where: short stacking energy: -583.206
Base-Backbone interact. energy: 0.817
local terms energy: -612.366489
where:
bonds (distance) C4'-P energy: -106.681
bonds (distance) P-C4' energy: -113.828
flat angles C4'-P-C4' energy: -139.478
flat angles P-C4'-P energy: -87.660
tors. eta vs tors. theta energy: -164.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1821.386920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.386920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.386920 (E_RNA)
where:
Base-Base interactions energy: -1245.605
where: short stacking energy: -508.716
Base-Backbone interact. energy: -3.915
local terms energy: -571.866912
where:
bonds (distance) C4'-P energy: -110.322
bonds (distance) P-C4' energy: -106.067
flat angles C4'-P-C4' energy: -132.679
flat angles P-C4'-P energy: -87.770
tors. eta vs tors. theta energy: -135.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1526.044423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.044423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.044423 (E_RNA)
where:
Base-Base interactions energy: -996.739
where: short stacking energy: -457.873
Base-Backbone interact. energy: -2.665
local terms energy: -526.639963
where:
bonds (distance) C4'-P energy: -101.763
bonds (distance) P-C4' energy: -105.468
flat angles C4'-P-C4' energy: -119.871
flat angles P-C4'-P energy: -68.593
tors. eta vs tors. theta energy: -130.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1168.550342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.550342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.550342 (E_RNA)
where:
Base-Base interactions energy: -725.035
where: short stacking energy: -325.656
Base-Backbone interact. energy: -0.654
local terms energy: -442.860830
where:
bonds (distance) C4'-P energy: -106.793
bonds (distance) P-C4' energy: -108.653
flat angles C4'-P-C4' energy: -110.050
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -40.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -818.862677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.862677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.862677 (E_RNA)
where:
Base-Base interactions energy: -444.126
where: short stacking energy: -256.422
Base-Backbone interact. energy: 0.155
local terms energy: -374.890942
where:
bonds (distance) C4'-P energy: -98.907
bonds (distance) P-C4' energy: -97.133
flat angles C4'-P-C4' energy: -104.027
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -680.072226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.072226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.072226 (E_RNA)
where:
Base-Base interactions energy: -338.420
where: short stacking energy: -156.567
Base-Backbone interact. energy: 2.210
local terms energy: -343.862023
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -136.831
flat angles C4'-P-C4' energy: -84.449
flat angles P-C4'-P energy: -62.234
tors. eta vs tors. theta energy: 43.121
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: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2333.684493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.684493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.684493 (E_RNA)
where:
Base-Base interactions energy: -1648.486
where: short stacking energy: -649.523
Base-Backbone interact. energy: -4.706
local terms energy: -680.493131
where:
bonds (distance) C4'-P energy: -140.134
bonds (distance) P-C4' energy: -139.114
flat angles C4'-P-C4' energy: -141.742
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -167.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2246.752800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.752800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.752800 (E_RNA)
where:
Base-Base interactions energy: -1563.288
where: short stacking energy: -641.110
Base-Backbone interact. energy: -3.177
local terms energy: -680.287518
where:
bonds (distance) C4'-P energy: -124.153
bonds (distance) P-C4' energy: -135.381
flat angles C4'-P-C4' energy: -143.975
flat angles P-C4'-P energy: -96.618
tors. eta vs tors. theta energy: -180.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2140.453195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.453195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.453195 (E_RNA)
where:
Base-Base interactions energy: -1486.060
where: short stacking energy: -614.058
Base-Backbone interact. energy: -6.008
local terms energy: -648.384878
where:
bonds (distance) C4'-P energy: -120.655
bonds (distance) P-C4' energy: -123.905
flat angles C4'-P-C4' energy: -151.454
flat angles P-C4'-P energy: -80.901
tors. eta vs tors. theta energy: -171.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1997.284230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.284230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.284230 (E_RNA)
where:
Base-Base interactions energy: -1367.710
where: short stacking energy: -588.426
Base-Backbone interact. energy: -3.806
local terms energy: -625.767798
where:
bonds (distance) C4'-P energy: -105.630
bonds (distance) P-C4' energy: -129.638
flat angles C4'-P-C4' energy: -140.314
flat angles P-C4'-P energy: -88.816
tors. eta vs tors. theta energy: -161.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2003.102180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.102180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.102180 (E_RNA)
where:
Base-Base interactions energy: -1384.084
where: short stacking energy: -616.154
Base-Backbone interact. energy: -0.638
local terms energy: -618.379735
where:
bonds (distance) C4'-P energy: -108.943
bonds (distance) P-C4' energy: -120.444
flat angles C4'-P-C4' energy: -144.390
flat angles P-C4'-P energy: -79.728
tors. eta vs tors. theta energy: -164.875
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1846.123642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.123642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.123642 (E_RNA)
where:
Base-Base interactions energy: -1248.817
where: short stacking energy: -486.354
Base-Backbone interact. energy: 0.239
local terms energy: -597.545381
where:
bonds (distance) C4'-P energy: -108.972
bonds (distance) P-C4' energy: -125.851
flat angles C4'-P-C4' energy: -133.505
flat angles P-C4'-P energy: -85.211
tors. eta vs tors. theta energy: -144.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1584.412844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.412844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.412844 (E_RNA)
where:
Base-Base interactions energy: -1063.565
where: short stacking energy: -475.702
Base-Backbone interact. energy: -2.371
local terms energy: -518.477359
where:
bonds (distance) C4'-P energy: -108.300
bonds (distance) P-C4' energy: -116.802
flat angles C4'-P-C4' energy: -126.984
flat angles P-C4'-P energy: -74.336
tors. eta vs tors. theta energy: -92.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1222.119093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.119093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.119093 (E_RNA)
where:
Base-Base interactions energy: -766.290
where: short stacking energy: -354.177
Base-Backbone interact. energy: -1.213
local terms energy: -454.615502
where:
bonds (distance) C4'-P energy: -101.564
bonds (distance) P-C4' energy: -135.745
flat angles C4'-P-C4' energy: -104.644
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: -65.111
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: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -865.010685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.010685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.010685 (E_RNA)
where:
Base-Base interactions energy: -469.116
where: short stacking energy: -265.679
Base-Backbone interact. energy: 2.469
local terms energy: -398.363548
where:
bonds (distance) C4'-P energy: -103.644
bonds (distance) P-C4' energy: -111.040
flat angles C4'-P-C4' energy: -100.629
flat angles P-C4'-P energy: -60.086
tors. eta vs tors. theta energy: -22.964
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -687.801811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.801811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.801811 (E_RNA)
where:
Base-Base interactions energy: -346.284
where: short stacking energy: -175.580
Base-Backbone interact. energy: -1.113
local terms energy: -340.404144
where:
bonds (distance) C4'-P energy: -104.714
bonds (distance) P-C4' energy: -113.660
flat angles C4'-P-C4' energy: -79.711
flat angles P-C4'-P energy: -60.592
tors. eta vs tors. theta energy: 18.273
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: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2348.995934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.995934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.995934 (E_RNA)
where:
Base-Base interactions energy: -1659.349
where: short stacking energy: -646.290
Base-Backbone interact. energy: -3.158
local terms energy: -686.488786
where:
bonds (distance) C4'-P energy: -121.470
bonds (distance) P-C4' energy: -130.259
flat angles C4'-P-C4' energy: -144.895
flat angles P-C4'-P energy: -109.075
tors. eta vs tors. theta energy: -180.789
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: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2203.468671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.468671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.468671 (E_RNA)
where:
Base-Base interactions energy: -1540.961
where: short stacking energy: -620.780
Base-Backbone interact. energy: -0.809
local terms energy: -661.698622
where:
bonds (distance) C4'-P energy: -134.144
bonds (distance) P-C4' energy: -115.962
flat angles C4'-P-C4' energy: -148.972
flat angles P-C4'-P energy: -87.765
tors. eta vs tors. theta energy: -174.856
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: 269
Temperature: 1.000000
Total energy: -2168.895019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.895019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.895019 (E_RNA)
where:
Base-Base interactions energy: -1502.900
where: short stacking energy: -618.644
Base-Backbone interact. energy: -2.658
local terms energy: -663.336497
where:
bonds (distance) C4'-P energy: -126.716
bonds (distance) P-C4' energy: -118.939
flat angles C4'-P-C4' energy: -148.108
flat angles P-C4'-P energy: -75.864
tors. eta vs tors. theta energy: -193.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2038.433654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.433654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.433654 (E_RNA)
where:
Base-Base interactions energy: -1378.997
where: short stacking energy: -599.613
Base-Backbone interact. energy: -2.826
local terms energy: -656.610457
where:
bonds (distance) C4'-P energy: -118.218
bonds (distance) P-C4' energy: -135.217
flat angles C4'-P-C4' energy: -138.253
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -176.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1984.750291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.750291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.750291 (E_RNA)
where:
Base-Base interactions energy: -1382.744
where: short stacking energy: -604.548
Base-Backbone interact. energy: -4.596
local terms energy: -597.409757
where:
bonds (distance) C4'-P energy: -111.491
bonds (distance) P-C4' energy: -105.426
flat angles C4'-P-C4' energy: -138.736
flat angles P-C4'-P energy: -72.350
tors. eta vs tors. theta energy: -169.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1822.423993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.423993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.423993 (E_RNA)
where:
Base-Base interactions energy: -1231.854
where: short stacking energy: -518.145
Base-Backbone interact. energy: -2.621
local terms energy: -587.948901
where:
bonds (distance) C4'-P energy: -121.976
bonds (distance) P-C4' energy: -116.435
flat angles C4'-P-C4' energy: -111.589
flat angles P-C4'-P energy: -93.403
tors. eta vs tors. theta energy: -144.546
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: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1639.704007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.704007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.704007 (E_RNA)
where:
Base-Base interactions energy: -1094.756
where: short stacking energy: -473.308
Base-Backbone interact. energy: 2.679
local terms energy: -547.627125
where:
bonds (distance) C4'-P energy: -113.096
bonds (distance) P-C4' energy: -107.781
flat angles C4'-P-C4' energy: -123.232
flat angles P-C4'-P energy: -78.096
tors. eta vs tors. theta energy: -125.423
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1279.361820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.361820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.361820 (E_RNA)
where:
Base-Base interactions energy: -806.127
where: short stacking energy: -340.285
Base-Backbone interact. energy: -3.451
local terms energy: -469.783871
where:
bonds (distance) C4'-P energy: -124.135
bonds (distance) P-C4' energy: -113.485
flat angles C4'-P-C4' energy: -117.776
flat angles P-C4'-P energy: -61.451
tors. eta vs tors. theta energy: -52.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -892.867249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.867249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.867249 (E_RNA)
where:
Base-Base interactions energy: -509.242
where: short stacking energy: -272.289
Base-Backbone interact. energy: 0.168
local terms energy: -383.793950
where:
bonds (distance) C4'-P energy: -86.440
bonds (distance) P-C4' energy: -94.173
flat angles C4'-P-C4' energy: -95.782
flat angles P-C4'-P energy: -78.958
tors. eta vs tors. theta energy: -28.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -646.803400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.803400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.803400 (E_RNA)
where:
Base-Base interactions energy: -288.388
where: short stacking energy: -152.461
Base-Backbone interact. energy: -5.355
local terms energy: -353.061271
where:
bonds (distance) C4'-P energy: -101.828
bonds (distance) P-C4' energy: -112.202
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -47.294
tors. eta vs tors. theta energy: 11.225
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: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2345.844470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.844470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.844470 (E_RNA)
where:
Base-Base interactions energy: -1659.772
where: short stacking energy: -672.559
Base-Backbone interact. energy: -4.326
local terms energy: -681.746282
where:
bonds (distance) C4'-P energy: -119.748
bonds (distance) P-C4' energy: -142.041
flat angles C4'-P-C4' energy: -151.471
flat angles P-C4'-P energy: -85.694
tors. eta vs tors. theta energy: -182.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2195.177159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.177159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.177159 (E_RNA)
where:
Base-Base interactions energy: -1545.493
where: short stacking energy: -609.947
Base-Backbone interact. energy: -2.795
local terms energy: -646.888452
where:
bonds (distance) C4'-P energy: -125.778
bonds (distance) P-C4' energy: -126.905
flat angles C4'-P-C4' energy: -136.819
flat angles P-C4'-P energy: -90.316
tors. eta vs tors. theta energy: -167.070
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2171.137562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.137562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.137562 (E_RNA)
where:
Base-Base interactions energy: -1508.646
where: short stacking energy: -604.025
Base-Backbone interact. energy: -2.043
local terms energy: -660.448106
where:
bonds (distance) C4'-P energy: -131.702
bonds (distance) P-C4' energy: -134.187
flat angles C4'-P-C4' energy: -125.035
flat angles P-C4'-P energy: -99.691
tors. eta vs tors. theta energy: -169.834
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: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2071.398271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.398271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.398271 (E_RNA)
where:
Base-Base interactions energy: -1408.814
where: short stacking energy: -616.929
Base-Backbone interact. energy: -3.776
local terms energy: -658.807518
where:
bonds (distance) C4'-P energy: -125.422
bonds (distance) P-C4' energy: -127.744
flat angles C4'-P-C4' energy: -139.329
flat angles P-C4'-P energy: -84.050
tors. eta vs tors. theta energy: -182.264
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: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2050.952668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.952668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.952668 (E_RNA)
where:
Base-Base interactions energy: -1390.755
where: short stacking energy: -613.401
Base-Backbone interact. energy: -1.555
local terms energy: -658.642850
where:
bonds (distance) C4'-P energy: -126.073
bonds (distance) P-C4' energy: -117.757
flat angles C4'-P-C4' energy: -147.408
flat angles P-C4'-P energy: -94.515
tors. eta vs tors. theta energy: -172.890
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: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1806.698504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.698504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.698504 (E_RNA)
where:
Base-Base interactions energy: -1202.449
where: short stacking energy: -509.024
Base-Backbone interact. energy: -0.269
local terms energy: -603.980340
where:
bonds (distance) C4'-P energy: -135.188
bonds (distance) P-C4' energy: -123.144
flat angles C4'-P-C4' energy: -131.653
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -137.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1661.168107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.168107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.168107 (E_RNA)
where:
Base-Base interactions energy: -1105.025
where: short stacking energy: -463.384
Base-Backbone interact. energy: 0.919
local terms energy: -557.062679
where:
bonds (distance) C4'-P energy: -100.899
bonds (distance) P-C4' energy: -120.110
flat angles C4'-P-C4' energy: -121.621
flat angles P-C4'-P energy: -79.741
tors. eta vs tors. theta energy: -134.692
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: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1308.991322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.991322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.991322 (E_RNA)
where:
Base-Base interactions energy: -851.125
where: short stacking energy: -376.567
Base-Backbone interact. energy: 3.402
local terms energy: -461.268941
where:
bonds (distance) C4'-P energy: -101.433
bonds (distance) P-C4' energy: -118.993
flat angles C4'-P-C4' energy: -109.829
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -68.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -929.148376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.148376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.148376 (E_RNA)
where:
Base-Base interactions energy: -514.576
where: short stacking energy: -256.790
Base-Backbone interact. energy: -0.647
local terms energy: -413.925602
where:
bonds (distance) C4'-P energy: -89.406
bonds (distance) P-C4' energy: -101.243
flat angles C4'-P-C4' energy: -111.100
flat angles P-C4'-P energy: -71.094
tors. eta vs tors. theta energy: -41.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -608.208931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.208931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.208931 (E_RNA)
where:
Base-Base interactions energy: -272.921
where: short stacking energy: -172.847
Base-Backbone interact. energy: 2.446
local terms energy: -337.734081
where:
bonds (distance) C4'-P energy: -98.118
bonds (distance) P-C4' energy: -107.319
flat angles C4'-P-C4' energy: -86.215
flat angles P-C4'-P energy: -57.695
tors. eta vs tors. theta energy: 11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2394.342290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.342290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.342290 (E_RNA)
where:
Base-Base interactions energy: -1678.405
where: short stacking energy: -658.153
Base-Backbone interact. energy: -7.463
local terms energy: -708.474652
where:
bonds (distance) C4'-P energy: -133.779
bonds (distance) P-C4' energy: -137.686
flat angles C4'-P-C4' energy: -147.372
flat angles P-C4'-P energy: -104.765
tors. eta vs tors. theta energy: -184.873
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: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2237.412172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.412172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.412172 (E_RNA)
where:
Base-Base interactions energy: -1568.171
where: short stacking energy: -640.207
Base-Backbone interact. energy: -4.888
local terms energy: -664.352999
where:
bonds (distance) C4'-P energy: -114.589
bonds (distance) P-C4' energy: -138.423
flat angles C4'-P-C4' energy: -145.192
flat angles P-C4'-P energy: -83.081
tors. eta vs tors. theta energy: -183.068
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: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2188.626453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.626453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.626453 (E_RNA)
where:
Base-Base interactions energy: -1518.829
where: short stacking energy: -626.238
Base-Backbone interact. energy: 3.488
local terms energy: -673.284757
where:
bonds (distance) C4'-P energy: -128.746
bonds (distance) P-C4' energy: -121.097
flat angles C4'-P-C4' energy: -140.223
flat angles P-C4'-P energy: -97.796
tors. eta vs tors. theta energy: -185.422
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: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2050.666705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.666705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.666705 (E_RNA)
where:
Base-Base interactions energy: -1403.713
where: short stacking energy: -613.558
Base-Backbone interact. energy: -1.481
local terms energy: -645.472758
where:
bonds (distance) C4'-P energy: -110.617
bonds (distance) P-C4' energy: -119.028
flat angles C4'-P-C4' energy: -128.386
flat angles P-C4'-P energy: -95.108
tors. eta vs tors. theta energy: -192.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1973.892983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.892983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.892983 (E_RNA)
where:
Base-Base interactions energy: -1326.570
where: short stacking energy: -569.556
Base-Backbone interact. energy: -4.447
local terms energy: -642.876058
where:
bonds (distance) C4'-P energy: -122.255
bonds (distance) P-C4' energy: -136.766
flat angles C4'-P-C4' energy: -132.422
flat angles P-C4'-P energy: -88.756
tors. eta vs tors. theta energy: -162.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1807.311565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.311565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.311565 (E_RNA)
where:
Base-Base interactions energy: -1229.098
where: short stacking energy: -487.474
Base-Backbone interact. energy: -3.056
local terms energy: -575.157760
where:
bonds (distance) C4'-P energy: -115.278
bonds (distance) P-C4' energy: -117.931
flat angles C4'-P-C4' energy: -122.995
flat angles P-C4'-P energy: -95.277
tors. eta vs tors. theta energy: -123.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1638.539297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.539297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.539297 (E_RNA)
where:
Base-Base interactions energy: -1064.510
where: short stacking energy: -497.239
Base-Backbone interact. energy: -2.380
local terms energy: -571.649763
where:
bonds (distance) C4'-P energy: -105.779
bonds (distance) P-C4' energy: -121.206
flat angles C4'-P-C4' energy: -120.046
flat angles P-C4'-P energy: -88.316
tors. eta vs tors. theta energy: -136.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1315.369500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.369500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.369500 (E_RNA)
where:
Base-Base interactions energy: -848.753
where: short stacking energy: -396.577
Base-Backbone interact. energy: -2.231
local terms energy: -464.386178
where:
bonds (distance) C4'-P energy: -102.556
bonds (distance) P-C4' energy: -104.417
flat angles C4'-P-C4' energy: -122.090
flat angles P-C4'-P energy: -69.069
tors. eta vs tors. theta energy: -66.255
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: 271
Temperature: 1.300000
Total energy: -877.168557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.168557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.168557 (E_RNA)
where:
Base-Base interactions energy: -485.825
where: short stacking energy: -244.243
Base-Backbone interact. energy: 0.779
local terms energy: -392.121936
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -124.796
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -58.911
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -622.906064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.906064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.906064 (E_RNA)
where:
Base-Base interactions energy: -294.810
where: short stacking energy: -190.796
Base-Backbone interact. energy: -1.826
local terms energy: -326.270038
where:
bonds (distance) C4'-P energy: -107.406
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -90.973
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: 13.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2377.933058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.933058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.933058 (E_RNA)
where:
Base-Base interactions energy: -1669.797
where: short stacking energy: -664.704
Base-Backbone interact. energy: -4.311
local terms energy: -703.825518
where:
bonds (distance) C4'-P energy: -112.490
bonds (distance) P-C4' energy: -141.855
flat angles C4'-P-C4' energy: -151.851
flat angles P-C4'-P energy: -115.053
tors. eta vs tors. theta energy: -182.577
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: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2243.088972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.088972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.088972 (E_RNA)
where:
Base-Base interactions energy: -1555.734
where: short stacking energy: -622.365
Base-Backbone interact. energy: -1.262
local terms energy: -686.093863
where:
bonds (distance) C4'-P energy: -124.714
bonds (distance) P-C4' energy: -142.146
flat angles C4'-P-C4' energy: -151.997
flat angles P-C4'-P energy: -86.783
tors. eta vs tors. theta energy: -180.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2140.419261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.419261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.419261 (E_RNA)
where:
Base-Base interactions energy: -1492.358
where: short stacking energy: -639.834
Base-Backbone interact. energy: 1.320
local terms energy: -649.381113
where:
bonds (distance) C4'-P energy: -125.495
bonds (distance) P-C4' energy: -103.086
flat angles C4'-P-C4' energy: -147.347
flat angles P-C4'-P energy: -91.718
tors. eta vs tors. theta energy: -181.735
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: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2050.342390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.342390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.342390 (E_RNA)
where:
Base-Base interactions energy: -1387.837
where: short stacking energy: -589.518
Base-Backbone interact. energy: -2.025
local terms energy: -660.479841
where:
bonds (distance) C4'-P energy: -120.044
bonds (distance) P-C4' energy: -123.423
flat angles C4'-P-C4' energy: -142.632
flat angles P-C4'-P energy: -91.261
tors. eta vs tors. theta energy: -183.120
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: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1969.076980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.076980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.076980 (E_RNA)
where:
Base-Base interactions energy: -1344.804
where: short stacking energy: -566.863
Base-Backbone interact. energy: -1.944
local terms energy: -622.328285
where:
bonds (distance) C4'-P energy: -126.887
bonds (distance) P-C4' energy: -113.699
flat angles C4'-P-C4' energy: -150.477
flat angles P-C4'-P energy: -66.431
tors. eta vs tors. theta energy: -164.834
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: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1780.354916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.354916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.354916 (E_RNA)
where:
Base-Base interactions energy: -1197.692
where: short stacking energy: -497.792
Base-Backbone interact. energy: -4.514
local terms energy: -578.149495
where:
bonds (distance) C4'-P energy: -115.505
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -131.752
flat angles P-C4'-P energy: -79.415
tors. eta vs tors. theta energy: -134.409
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: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1623.716568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.716568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.716568 (E_RNA)
where:
Base-Base interactions energy: -1081.131
where: short stacking energy: -488.910
Base-Backbone interact. energy: -0.181
local terms energy: -542.404449
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -111.420
flat angles C4'-P-C4' energy: -112.278
flat angles P-C4'-P energy: -78.191
tors. eta vs tors. theta energy: -129.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1369.030985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.030985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.030985 (E_RNA)
where:
Base-Base interactions energy: -912.152
where: short stacking energy: -394.074
Base-Backbone interact. energy: 0.727
local terms energy: -457.606160
where:
bonds (distance) C4'-P energy: -107.519
bonds (distance) P-C4' energy: -89.050
flat angles C4'-P-C4' energy: -108.277
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -80.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -859.417331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.417331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.417331 (E_RNA)
where:
Base-Base interactions energy: -474.106
where: short stacking energy: -237.907
Base-Backbone interact. energy: -2.039
local terms energy: -383.272739
where:
bonds (distance) C4'-P energy: -111.970
bonds (distance) P-C4' energy: -101.056
flat angles C4'-P-C4' energy: -92.767
flat angles P-C4'-P energy: -72.125
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -604.618357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.618357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.618357 (E_RNA)
where:
Base-Base interactions energy: -268.286
where: short stacking energy: -185.550
Base-Backbone interact. energy: 2.191
local terms energy: -338.522843
where:
bonds (distance) C4'-P energy: -111.968
bonds (distance) P-C4' energy: -98.509
flat angles C4'-P-C4' energy: -88.427
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: 4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2386.733484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.733484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.733484 (E_RNA)
where:
Base-Base interactions energy: -1678.050
where: short stacking energy: -673.665
Base-Backbone interact. energy: -6.696
local terms energy: -701.986899
where:
bonds (distance) C4'-P energy: -127.950
bonds (distance) P-C4' energy: -136.953
flat angles C4'-P-C4' energy: -149.407
flat angles P-C4'-P energy: -105.926
tors. eta vs tors. theta energy: -181.750
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: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2265.687156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.687156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.687156 (E_RNA)
where:
Base-Base interactions energy: -1577.538
where: short stacking energy: -669.048
Base-Backbone interact. energy: -6.169
local terms energy: -681.980643
where:
bonds (distance) C4'-P energy: -121.673
bonds (distance) P-C4' energy: -127.807
flat angles C4'-P-C4' energy: -148.884
flat angles P-C4'-P energy: -92.748
tors. eta vs tors. theta energy: -190.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2170.752216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.752216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.752216 (E_RNA)
where:
Base-Base interactions energy: -1482.973
where: short stacking energy: -628.940
Base-Backbone interact. energy: -2.975
local terms energy: -684.804481
where:
bonds (distance) C4'-P energy: -123.938
bonds (distance) P-C4' energy: -129.966
flat angles C4'-P-C4' energy: -137.760
flat angles P-C4'-P energy: -101.061
tors. eta vs tors. theta energy: -192.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2038.417492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.417492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.417492 (E_RNA)
where:
Base-Base interactions energy: -1394.497
where: short stacking energy: -641.006
Base-Backbone interact. energy: -1.473
local terms energy: -642.447453
where:
bonds (distance) C4'-P energy: -116.211
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -134.388
flat angles P-C4'-P energy: -85.558
tors. eta vs tors. theta energy: -189.939
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: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1974.485516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.485516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.485516 (E_RNA)
where:
Base-Base interactions energy: -1356.175
where: short stacking energy: -573.055
Base-Backbone interact. energy: -0.231
local terms energy: -618.079758
where:
bonds (distance) C4'-P energy: -113.611
bonds (distance) P-C4' energy: -122.746
flat angles C4'-P-C4' energy: -127.566
flat angles P-C4'-P energy: -90.609
tors. eta vs tors. theta energy: -163.548
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: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1827.591642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.591642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.591642 (E_RNA)
where:
Base-Base interactions energy: -1265.606
where: short stacking energy: -554.313
Base-Backbone interact. energy: 4.051
local terms energy: -566.036493
where:
bonds (distance) C4'-P energy: -96.112
bonds (distance) P-C4' energy: -120.556
flat angles C4'-P-C4' energy: -140.457
flat angles P-C4'-P energy: -73.672
tors. eta vs tors. theta energy: -135.240
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: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1598.038932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.038932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.038932 (E_RNA)
where:
Base-Base interactions energy: -1062.648
where: short stacking energy: -468.291
Base-Backbone interact. energy: 0.056
local terms energy: -535.447108
where:
bonds (distance) C4'-P energy: -102.022
bonds (distance) P-C4' energy: -106.864
flat angles C4'-P-C4' energy: -127.756
flat angles P-C4'-P energy: -68.515
tors. eta vs tors. theta energy: -130.290
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: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1397.624738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.624738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.624738 (E_RNA)
where:
Base-Base interactions energy: -915.427
where: short stacking energy: -381.201
Base-Backbone interact. energy: 4.035
local terms energy: -486.232898
where:
bonds (distance) C4'-P energy: -108.043
bonds (distance) P-C4' energy: -121.135
flat angles C4'-P-C4' energy: -119.078
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -74.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -833.595264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.595264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.595264 (E_RNA)
where:
Base-Base interactions energy: -444.371
where: short stacking energy: -204.111
Base-Backbone interact. energy: -2.522
local terms energy: -386.702377
where:
bonds (distance) C4'-P energy: -115.182
bonds (distance) P-C4' energy: -122.665
flat angles C4'-P-C4' energy: -88.995
flat angles P-C4'-P energy: -53.433
tors. eta vs tors. theta energy: -6.427
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: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -588.546791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.546791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.546791 (E_RNA)
where:
Base-Base interactions energy: -235.180
where: short stacking energy: -147.852
Base-Backbone interact. energy: 0.976
local terms energy: -354.342876
where:
bonds (distance) C4'-P energy: -96.958
bonds (distance) P-C4' energy: -109.538
flat angles C4'-P-C4' energy: -105.980
flat angles P-C4'-P energy: -59.256
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: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2371.793644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.793644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.793644 (E_RNA)
where:
Base-Base interactions energy: -1674.215
where: short stacking energy: -665.015
Base-Backbone interact. energy: -6.998
local terms energy: -690.580629
where:
bonds (distance) C4'-P energy: -130.432
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -154.743
flat angles P-C4'-P energy: -106.077
tors. eta vs tors. theta energy: -166.254
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2242.652703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.652703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.652703 (E_RNA)
where:
Base-Base interactions energy: -1585.527
where: short stacking energy: -646.604
Base-Backbone interact. energy: -0.348
local terms energy: -656.777605
where:
bonds (distance) C4'-P energy: -121.731
bonds (distance) P-C4' energy: -127.180
flat angles C4'-P-C4' energy: -124.117
flat angles P-C4'-P energy: -103.284
tors. eta vs tors. theta energy: -180.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2152.243500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.243500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.243500 (E_RNA)
where:
Base-Base interactions energy: -1468.420
where: short stacking energy: -635.761
Base-Backbone interact. energy: 1.767
local terms energy: -685.590632
where:
bonds (distance) C4'-P energy: -116.657
bonds (distance) P-C4' energy: -132.999
flat angles C4'-P-C4' energy: -153.304
flat angles P-C4'-P energy: -105.803
tors. eta vs tors. theta energy: -176.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2051.758023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.758023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.758023 (E_RNA)
where:
Base-Base interactions energy: -1372.215
where: short stacking energy: -597.830
Base-Backbone interact. energy: 0.952
local terms energy: -680.494770
where:
bonds (distance) C4'-P energy: -125.443
bonds (distance) P-C4' energy: -126.197
flat angles C4'-P-C4' energy: -147.140
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -182.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1959.217633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.217633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.217633 (E_RNA)
where:
Base-Base interactions energy: -1324.531
where: short stacking energy: -569.803
Base-Backbone interact. energy: -3.456
local terms energy: -631.230950
where:
bonds (distance) C4'-P energy: -129.606
bonds (distance) P-C4' energy: -109.782
flat angles C4'-P-C4' energy: -139.213
flat angles P-C4'-P energy: -86.946
tors. eta vs tors. theta energy: -165.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1790.450225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.450225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.450225 (E_RNA)
where:
Base-Base interactions energy: -1194.471
where: short stacking energy: -510.393
Base-Backbone interact. energy: -2.522
local terms energy: -593.457944
where:
bonds (distance) C4'-P energy: -110.046
bonds (distance) P-C4' energy: -125.829
flat angles C4'-P-C4' energy: -135.758
flat angles P-C4'-P energy: -77.573
tors. eta vs tors. theta energy: -144.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1635.301372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.301372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.301372 (E_RNA)
where:
Base-Base interactions energy: -1068.074
where: short stacking energy: -476.017
Base-Backbone interact. energy: -0.628
local terms energy: -566.599252
where:
bonds (distance) C4'-P energy: -123.894
bonds (distance) P-C4' energy: -119.584
flat angles C4'-P-C4' energy: -118.084
flat angles P-C4'-P energy: -86.302
tors. eta vs tors. theta energy: -118.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1372.300805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.300805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.300805 (E_RNA)
where:
Base-Base interactions energy: -862.044
where: short stacking energy: -392.742
Base-Backbone interact. energy: 1.712
local terms energy: -511.969414
where:
bonds (distance) C4'-P energy: -116.588
bonds (distance) P-C4' energy: -127.383
flat angles C4'-P-C4' energy: -105.978
flat angles P-C4'-P energy: -71.039
tors. eta vs tors. theta energy: -90.981
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: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -872.780173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.780173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.780173 (E_RNA)
where:
Base-Base interactions energy: -472.860
where: short stacking energy: -242.898
Base-Backbone interact. energy: -1.893
local terms energy: -398.026511
where:
bonds (distance) C4'-P energy: -93.620
bonds (distance) P-C4' energy: -117.547
flat angles C4'-P-C4' energy: -101.412
flat angles P-C4'-P energy: -61.784
tors. eta vs tors. theta energy: -23.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -524.643426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.643426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.643426 (E_RNA)
where:
Base-Base interactions energy: -186.580
where: short stacking energy: -143.461
Base-Backbone interact. energy: -1.361
local terms energy: -336.703125
where:
bonds (distance) C4'-P energy: -105.223
bonds (distance) P-C4' energy: -109.256
flat angles C4'-P-C4' energy: -82.431
flat angles P-C4'-P energy: -48.931
tors. eta vs tors. theta energy: 9.137
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: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2378.394407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.394407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.394407 (E_RNA)
where:
Base-Base interactions energy: -1681.216
where: short stacking energy: -683.311
Base-Backbone interact. energy: -4.909
local terms energy: -692.268981
where:
bonds (distance) C4'-P energy: -136.022
bonds (distance) P-C4' energy: -133.357
flat angles C4'-P-C4' energy: -149.542
flat angles P-C4'-P energy: -106.794
tors. eta vs tors. theta energy: -166.554
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: 275
Temperature: 0.950000
Total energy: -2234.291952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.291952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.291952 (E_RNA)
where:
Base-Base interactions energy: -1577.628
where: short stacking energy: -647.320
Base-Backbone interact. energy: -3.315
local terms energy: -653.348295
where:
bonds (distance) C4'-P energy: -128.559
bonds (distance) P-C4' energy: -117.153
flat angles C4'-P-C4' energy: -150.057
flat angles P-C4'-P energy: -83.097
tors. eta vs tors. theta energy: -174.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2136.134730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.134730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.134730 (E_RNA)
where:
Base-Base interactions energy: -1484.104
where: short stacking energy: -634.803
Base-Backbone interact. energy: -2.125
local terms energy: -649.905460
where:
bonds (distance) C4'-P energy: -123.232
bonds (distance) P-C4' energy: -120.589
flat angles C4'-P-C4' energy: -137.854
flat angles P-C4'-P energy: -89.963
tors. eta vs tors. theta energy: -178.268
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: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2002.331596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.331596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.331596 (E_RNA)
where:
Base-Base interactions energy: -1364.444
where: short stacking energy: -568.027
Base-Backbone interact. energy: -1.940
local terms energy: -635.948400
where:
bonds (distance) C4'-P energy: -116.662
bonds (distance) P-C4' energy: -138.970
flat angles C4'-P-C4' energy: -145.774
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -154.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1969.098025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.098025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.098025 (E_RNA)
where:
Base-Base interactions energy: -1343.956
where: short stacking energy: -581.120
Base-Backbone interact. energy: -2.554
local terms energy: -622.588093
where:
bonds (distance) C4'-P energy: -123.128
bonds (distance) P-C4' energy: -118.413
flat angles C4'-P-C4' energy: -124.657
flat angles P-C4'-P energy: -83.181
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: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1745.024375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.024375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.024375 (E_RNA)
where:
Base-Base interactions energy: -1188.833
where: short stacking energy: -495.217
Base-Backbone interact. energy: -0.964
local terms energy: -555.227596
where:
bonds (distance) C4'-P energy: -104.394
bonds (distance) P-C4' energy: -101.573
flat angles C4'-P-C4' energy: -141.657
flat angles P-C4'-P energy: -80.774
tors. eta vs tors. theta energy: -126.829
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: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1606.658839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.658839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.658839 (E_RNA)
where:
Base-Base interactions energy: -1074.537
where: short stacking energy: -479.523
Base-Backbone interact. energy: -1.088
local terms energy: -531.034564
where:
bonds (distance) C4'-P energy: -82.527
bonds (distance) P-C4' energy: -120.372
flat angles C4'-P-C4' energy: -135.768
flat angles P-C4'-P energy: -66.778
tors. eta vs tors. theta energy: -125.588
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: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1359.662145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.662145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.662145 (E_RNA)
where:
Base-Base interactions energy: -888.951
where: short stacking energy: -396.142
Base-Backbone interact. energy: -3.598
local terms energy: -467.112696
where:
bonds (distance) C4'-P energy: -107.363
bonds (distance) P-C4' energy: -85.403
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -74.617
tors. eta vs tors. theta energy: -87.153
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: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -745.415092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.415092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.415092 (E_RNA)
where:
Base-Base interactions energy: -382.306
where: short stacking energy: -201.556
Base-Backbone interact. energy: 1.184
local terms energy: -364.293604
where:
bonds (distance) C4'-P energy: -109.899
bonds (distance) P-C4' energy: -106.929
flat angles C4'-P-C4' energy: -83.724
flat angles P-C4'-P energy: -52.103
tors. eta vs tors. theta energy: -11.638
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: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -525.420385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.420385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.420385 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -140.542
Base-Backbone interact. energy: -3.619
local terms energy: -358.833453
where:
bonds (distance) C4'-P energy: -100.619
bonds (distance) P-C4' energy: -111.862
flat angles C4'-P-C4' energy: -104.296
flat angles P-C4'-P energy: -56.801
tors. eta vs tors. theta energy: 14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2334.543630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.543630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.543630 (E_RNA)
where:
Base-Base interactions energy: -1634.113
where: short stacking energy: -663.145
Base-Backbone interact. energy: -1.429
local terms energy: -699.001610
where:
bonds (distance) C4'-P energy: -124.209
bonds (distance) P-C4' energy: -138.825
flat angles C4'-P-C4' energy: -162.403
flat angles P-C4'-P energy: -91.014
tors. eta vs tors. theta energy: -182.550
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2234.698325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.698325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.698325 (E_RNA)
where:
Base-Base interactions energy: -1557.443
where: short stacking energy: -624.786
Base-Backbone interact. energy: -2.198
local terms energy: -675.057232
where:
bonds (distance) C4'-P energy: -129.276
bonds (distance) P-C4' energy: -134.948
flat angles C4'-P-C4' energy: -136.737
flat angles P-C4'-P energy: -99.609
tors. eta vs tors. theta energy: -174.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2145.794929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.794929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.794929 (E_RNA)
where:
Base-Base interactions energy: -1495.860
where: short stacking energy: -615.496
Base-Backbone interact. energy: 0.881
local terms energy: -650.816432
where:
bonds (distance) C4'-P energy: -117.378
bonds (distance) P-C4' energy: -129.205
flat angles C4'-P-C4' energy: -138.143
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -177.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2026.771345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.771345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.771345 (E_RNA)
where:
Base-Base interactions energy: -1365.244
where: short stacking energy: -597.862
Base-Backbone interact. energy: 0.434
local terms energy: -661.961214
where:
bonds (distance) C4'-P energy: -133.079
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -133.111
flat angles P-C4'-P energy: -89.869
tors. eta vs tors. theta energy: -176.255
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: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1937.092444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.092444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.092444 (E_RNA)
where:
Base-Base interactions energy: -1314.308
where: short stacking energy: -590.590
Base-Backbone interact. energy: 1.338
local terms energy: -624.122852
where:
bonds (distance) C4'-P energy: -118.662
bonds (distance) P-C4' energy: -115.059
flat angles C4'-P-C4' energy: -142.819
flat angles P-C4'-P energy: -76.711
tors. eta vs tors. theta energy: -170.872
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1777.075470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.075470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.075470 (E_RNA)
where:
Base-Base interactions energy: -1192.748
where: short stacking energy: -506.143
Base-Backbone interact. energy: -0.404
local terms energy: -583.923788
where:
bonds (distance) C4'-P energy: -121.357
bonds (distance) P-C4' energy: -122.796
flat angles C4'-P-C4' energy: -120.537
flat angles P-C4'-P energy: -92.467
tors. eta vs tors. theta energy: -126.765
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: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1626.741236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.741236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.741236 (E_RNA)
where:
Base-Base interactions energy: -1066.295
where: short stacking energy: -480.575
Base-Backbone interact. energy: -3.831
local terms energy: -556.614982
where:
bonds (distance) C4'-P energy: -120.573
bonds (distance) P-C4' energy: -113.799
flat angles C4'-P-C4' energy: -124.265
flat angles P-C4'-P energy: -73.119
tors. eta vs tors. theta energy: -124.859
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: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1369.167850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.167850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.167850 (E_RNA)
where:
Base-Base interactions energy: -876.968
where: short stacking energy: -400.754
Base-Backbone interact. energy: -1.861
local terms energy: -490.338231
where:
bonds (distance) C4'-P energy: -111.996
bonds (distance) P-C4' energy: -105.087
flat angles C4'-P-C4' energy: -109.270
flat angles P-C4'-P energy: -82.664
tors. eta vs tors. theta energy: -81.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -765.160022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.160022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.160022 (E_RNA)
where:
Base-Base interactions energy: -385.409
where: short stacking energy: -226.561
Base-Backbone interact. energy: 0.025
local terms energy: -379.776291
where:
bonds (distance) C4'-P energy: -108.501
bonds (distance) P-C4' energy: -119.188
flat angles C4'-P-C4' energy: -87.547
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -549.525897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.525897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.525897 (E_RNA)
where:
Base-Base interactions energy: -251.433
where: short stacking energy: -164.720
Base-Backbone interact. energy: 13.701
local terms energy: -311.794171
where:
bonds (distance) C4'-P energy: -92.174
bonds (distance) P-C4' energy: -99.901
flat angles C4'-P-C4' energy: -81.062
flat angles P-C4'-P energy: -50.426
tors. eta vs tors. theta energy: 11.768
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: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2321.426044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.426044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.426044 (E_RNA)
where:
Base-Base interactions energy: -1646.521
where: short stacking energy: -672.189
Base-Backbone interact. energy: -4.432
local terms energy: -670.472747
where:
bonds (distance) C4'-P energy: -126.934
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -146.503
flat angles P-C4'-P energy: -93.870
tors. eta vs tors. theta energy: -182.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2238.799283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.799283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.799283 (E_RNA)
where:
Base-Base interactions energy: -1565.811
where: short stacking energy: -627.526
Base-Backbone interact. energy: 0.112
local terms energy: -673.100128
where:
bonds (distance) C4'-P energy: -127.513
bonds (distance) P-C4' energy: -129.839
flat angles C4'-P-C4' energy: -138.831
flat angles P-C4'-P energy: -93.513
tors. eta vs tors. theta energy: -183.404
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: 277
Temperature: 1.000000
Total energy: -2145.100007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.100007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.100007 (E_RNA)
where:
Base-Base interactions energy: -1486.334
where: short stacking energy: -600.725
Base-Backbone interact. energy: -4.083
local terms energy: -654.682709
where:
bonds (distance) C4'-P energy: -124.209
bonds (distance) P-C4' energy: -129.583
flat angles C4'-P-C4' energy: -133.555
flat angles P-C4'-P energy: -88.834
tors. eta vs tors. theta energy: -178.502
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: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2024.868534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.868534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.868534 (E_RNA)
where:
Base-Base interactions energy: -1377.310
where: short stacking energy: -588.695
Base-Backbone interact. energy: -1.176
local terms energy: -646.382776
where:
bonds (distance) C4'-P energy: -130.428
bonds (distance) P-C4' energy: -120.189
flat angles C4'-P-C4' energy: -145.397
flat angles P-C4'-P energy: -88.623
tors. eta vs tors. theta energy: -161.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1919.841262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.841262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.841262 (E_RNA)
where:
Base-Base interactions energy: -1288.111
where: short stacking energy: -559.121
Base-Backbone interact. energy: -2.252
local terms energy: -629.478433
where:
bonds (distance) C4'-P energy: -116.417
bonds (distance) P-C4' energy: -124.221
flat angles C4'-P-C4' energy: -129.799
flat angles P-C4'-P energy: -90.575
tors. eta vs tors. theta energy: -168.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1715.597119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.597119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.597119 (E_RNA)
where:
Base-Base interactions energy: -1144.210
where: short stacking energy: -507.858
Base-Backbone interact. energy: 2.160
local terms energy: -573.546515
where:
bonds (distance) C4'-P energy: -117.020
bonds (distance) P-C4' energy: -127.907
flat angles C4'-P-C4' energy: -129.637
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -133.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1625.951224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.951224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.951224 (E_RNA)
where:
Base-Base interactions energy: -1088.209
where: short stacking energy: -452.865
Base-Backbone interact. energy: 4.681
local terms energy: -542.423936
where:
bonds (distance) C4'-P energy: -109.916
bonds (distance) P-C4' energy: -119.694
flat angles C4'-P-C4' energy: -121.364
flat angles P-C4'-P energy: -82.390
tors. eta vs tors. theta energy: -109.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1347.768479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.768479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.768479 (E_RNA)
where:
Base-Base interactions energy: -847.312
where: short stacking energy: -414.778
Base-Backbone interact. energy: -0.655
local terms energy: -499.802042
where:
bonds (distance) C4'-P energy: -105.726
bonds (distance) P-C4' energy: -127.929
flat angles C4'-P-C4' energy: -110.076
flat angles P-C4'-P energy: -58.107
tors. eta vs tors. theta energy: -97.963
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: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -755.007805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.007805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.007805 (E_RNA)
where:
Base-Base interactions energy: -350.430
where: short stacking energy: -214.485
Base-Backbone interact. energy: 0.418
local terms energy: -404.995785
where:
bonds (distance) C4'-P energy: -117.645
bonds (distance) P-C4' energy: -121.081
flat angles C4'-P-C4' energy: -96.771
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -603.351421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.351421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.351421 (E_RNA)
where:
Base-Base interactions energy: -254.936
where: short stacking energy: -164.096
Base-Backbone interact. energy: -1.262
local terms energy: -347.153221
where:
bonds (distance) C4'-P energy: -104.797
bonds (distance) P-C4' energy: -105.699
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -76.056
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2324.913528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.913528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.913528 (E_RNA)
where:
Base-Base interactions energy: -1635.059
where: short stacking energy: -664.734
Base-Backbone interact. energy: -2.098
local terms energy: -687.756900
where:
bonds (distance) C4'-P energy: -135.334
bonds (distance) P-C4' energy: -126.406
flat angles C4'-P-C4' energy: -142.509
flat angles P-C4'-P energy: -101.079
tors. eta vs tors. theta energy: -182.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2307.081360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.081360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.081360 (E_RNA)
where:
Base-Base interactions energy: -1620.782
where: short stacking energy: -668.689
Base-Backbone interact. energy: -0.852
local terms energy: -685.447402
where:
bonds (distance) C4'-P energy: -120.036
bonds (distance) P-C4' energy: -123.198
flat angles C4'-P-C4' energy: -156.835
flat angles P-C4'-P energy: -97.262
tors. eta vs tors. theta energy: -188.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2183.467992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.467992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.467992 (E_RNA)
where:
Base-Base interactions energy: -1557.318
where: short stacking energy: -630.986
Base-Backbone interact. energy: -2.215
local terms energy: -623.935026
where:
bonds (distance) C4'-P energy: -115.527
bonds (distance) P-C4' energy: -108.242
flat angles C4'-P-C4' energy: -135.445
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -177.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2019.652572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.652572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.652572 (E_RNA)
where:
Base-Base interactions energy: -1384.177
where: short stacking energy: -630.525
Base-Backbone interact. energy: -1.874
local terms energy: -633.601467
where:
bonds (distance) C4'-P energy: -101.590
bonds (distance) P-C4' energy: -120.436
flat angles C4'-P-C4' energy: -138.810
flat angles P-C4'-P energy: -88.330
tors. eta vs tors. theta energy: -184.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1869.986484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.986484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.986484 (E_RNA)
where:
Base-Base interactions energy: -1270.496
where: short stacking energy: -577.603
Base-Backbone interact. energy: -0.076
local terms energy: -599.414332
where:
bonds (distance) C4'-P energy: -105.514
bonds (distance) P-C4' energy: -120.819
flat angles C4'-P-C4' energy: -126.042
flat angles P-C4'-P energy: -89.708
tors. eta vs tors. theta energy: -157.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1687.630567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.630567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.630567 (E_RNA)
where:
Base-Base interactions energy: -1139.056
where: short stacking energy: -491.180
Base-Backbone interact. energy: 1.667
local terms energy: -550.241437
where:
bonds (distance) C4'-P energy: -116.410
bonds (distance) P-C4' energy: -102.317
flat angles C4'-P-C4' energy: -129.008
flat angles P-C4'-P energy: -84.046
tors. eta vs tors. theta energy: -118.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1639.476974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.476974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.476974 (E_RNA)
where:
Base-Base interactions energy: -1067.917
where: short stacking energy: -510.702
Base-Backbone interact. energy: -1.207
local terms energy: -570.352674
where:
bonds (distance) C4'-P energy: -119.638
bonds (distance) P-C4' energy: -109.982
flat angles C4'-P-C4' energy: -120.415
flat angles P-C4'-P energy: -81.787
tors. eta vs tors. theta energy: -138.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1221.458017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.458017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.458017 (E_RNA)
where:
Base-Base interactions energy: -796.526
where: short stacking energy: -390.384
Base-Backbone interact. energy: -0.814
local terms energy: -424.118155
where:
bonds (distance) C4'-P energy: -96.141
bonds (distance) P-C4' energy: -117.498
flat angles C4'-P-C4' energy: -105.368
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -55.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -741.938573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.938573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.938573 (E_RNA)
where:
Base-Base interactions energy: -376.480
where: short stacking energy: -226.619
Base-Backbone interact. energy: 1.605
local terms energy: -367.063762
where:
bonds (distance) C4'-P energy: -101.367
bonds (distance) P-C4' energy: -109.371
flat angles C4'-P-C4' energy: -100.086
flat angles P-C4'-P energy: -52.164
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -636.843473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.843473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.843473 (E_RNA)
where:
Base-Base interactions energy: -317.028
where: short stacking energy: -183.598
Base-Backbone interact. energy: -0.933
local terms energy: -318.883390
where:
bonds (distance) C4'-P energy: -83.296
bonds (distance) P-C4' energy: -102.212
flat angles C4'-P-C4' energy: -87.346
flat angles P-C4'-P energy: -50.006
tors. eta vs tors. theta energy: 3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2351.520249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.520249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.520249 (E_RNA)
where:
Base-Base interactions energy: -1663.556
where: short stacking energy: -688.158
Base-Backbone interact. energy: -4.186
local terms energy: -683.778859
where:
bonds (distance) C4'-P energy: -127.806
bonds (distance) P-C4' energy: -140.373
flat angles C4'-P-C4' energy: -135.962
flat angles P-C4'-P energy: -108.196
tors. eta vs tors. theta energy: -171.442
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: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2265.965196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.965196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.965196 (E_RNA)
where:
Base-Base interactions energy: -1588.377
where: short stacking energy: -655.444
Base-Backbone interact. energy: -1.231
local terms energy: -676.357379
where:
bonds (distance) C4'-P energy: -123.423
bonds (distance) P-C4' energy: -130.611
flat angles C4'-P-C4' energy: -152.804
flat angles P-C4'-P energy: -87.105
tors. eta vs tors. theta energy: -182.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2147.014862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.014862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.014862 (E_RNA)
where:
Base-Base interactions energy: -1507.078
where: short stacking energy: -620.333
Base-Backbone interact. energy: -1.679
local terms energy: -638.257410
where:
bonds (distance) C4'-P energy: -110.886
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -139.200
flat angles P-C4'-P energy: -87.560
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: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2039.105099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.105099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.105099 (E_RNA)
where:
Base-Base interactions energy: -1400.236
where: short stacking energy: -610.007
Base-Backbone interact. energy: -0.402
local terms energy: -638.466634
where:
bonds (distance) C4'-P energy: -115.730
bonds (distance) P-C4' energy: -97.848
flat angles C4'-P-C4' energy: -142.008
flat angles P-C4'-P energy: -95.398
tors. eta vs tors. theta energy: -187.481
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: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1870.236506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.236506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.236506 (E_RNA)
where:
Base-Base interactions energy: -1266.106
where: short stacking energy: -567.092
Base-Backbone interact. energy: 1.879
local terms energy: -606.008746
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -116.246
flat angles C4'-P-C4' energy: -140.317
flat angles P-C4'-P energy: -87.259
tors. eta vs tors. theta energy: -157.238
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: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1689.077493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.077493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.077493 (E_RNA)
where:
Base-Base interactions energy: -1127.629
where: short stacking energy: -471.031
Base-Backbone interact. energy: 1.174
local terms energy: -562.622603
where:
bonds (distance) C4'-P energy: -110.699
bonds (distance) P-C4' energy: -123.187
flat angles C4'-P-C4' energy: -121.075
flat angles P-C4'-P energy: -84.831
tors. eta vs tors. theta energy: -122.830
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: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1651.822612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.822612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.822612 (E_RNA)
where:
Base-Base interactions energy: -1121.778
where: short stacking energy: -503.575
Base-Backbone interact. energy: -1.286
local terms energy: -528.758881
where:
bonds (distance) C4'-P energy: -101.973
bonds (distance) P-C4' energy: -91.525
flat angles C4'-P-C4' energy: -125.944
flat angles P-C4'-P energy: -79.745
tors. eta vs tors. theta energy: -129.572
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: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1221.195801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.195801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.195801 (E_RNA)
where:
Base-Base interactions energy: -756.784
where: short stacking energy: -345.841
Base-Backbone interact. energy: -0.400
local terms energy: -464.012297
where:
bonds (distance) C4'-P energy: -103.066
bonds (distance) P-C4' energy: -116.779
flat angles C4'-P-C4' energy: -103.780
flat angles P-C4'-P energy: -72.816
tors. eta vs tors. theta energy: -67.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -768.048165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.048165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.048165 (E_RNA)
where:
Base-Base interactions energy: -390.882
where: short stacking energy: -212.886
Base-Backbone interact. energy: -2.228
local terms energy: -374.937953
where:
bonds (distance) C4'-P energy: -118.742
bonds (distance) P-C4' energy: -111.528
flat angles C4'-P-C4' energy: -91.750
flat angles P-C4'-P energy: -53.121
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -717.531022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.531022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.531022 (E_RNA)
where:
Base-Base interactions energy: -341.146
where: short stacking energy: -206.954
Base-Backbone interact. energy: 0.457
local terms energy: -376.841145
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -101.654
flat angles C4'-P-C4' energy: -95.756
flat angles P-C4'-P energy: -63.309
tors. eta vs tors. theta energy: -8.935
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: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2342.188780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.188780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.188780 (E_RNA)
where:
Base-Base interactions energy: -1657.822
where: short stacking energy: -662.930
Base-Backbone interact. energy: -4.343
local terms energy: -680.023383
where:
bonds (distance) C4'-P energy: -125.213
bonds (distance) P-C4' energy: -132.530
flat angles C4'-P-C4' energy: -141.412
flat angles P-C4'-P energy: -106.809
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: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2273.844513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.844513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.844513 (E_RNA)
where:
Base-Base interactions energy: -1587.893
where: short stacking energy: -640.007
Base-Backbone interact. energy: 1.358
local terms energy: -687.309041
where:
bonds (distance) C4'-P energy: -130.431
bonds (distance) P-C4' energy: -146.078
flat angles C4'-P-C4' energy: -131.434
flat angles P-C4'-P energy: -95.959
tors. eta vs tors. theta energy: -183.407
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: 280
Temperature: 1.000000
Total energy: -2169.130707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.130707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.130707 (E_RNA)
where:
Base-Base interactions energy: -1497.132
where: short stacking energy: -608.947
Base-Backbone interact. energy: -4.490
local terms energy: -667.509088
where:
bonds (distance) C4'-P energy: -123.744
bonds (distance) P-C4' energy: -127.677
flat angles C4'-P-C4' energy: -145.362
flat angles P-C4'-P energy: -94.817
tors. eta vs tors. theta energy: -175.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2042.638335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.638335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.638335 (E_RNA)
where:
Base-Base interactions energy: -1400.007
where: short stacking energy: -631.877
Base-Backbone interact. energy: -0.515
local terms energy: -642.116936
where:
bonds (distance) C4'-P energy: -111.723
bonds (distance) P-C4' energy: -133.967
flat angles C4'-P-C4' energy: -135.209
flat angles P-C4'-P energy: -77.673
tors. eta vs tors. theta energy: -183.545
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: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1901.144616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.144616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.144616 (E_RNA)
where:
Base-Base interactions energy: -1267.891
where: short stacking energy: -530.553
Base-Backbone interact. energy: -2.096
local terms energy: -631.157198
where:
bonds (distance) C4'-P energy: -122.178
bonds (distance) P-C4' energy: -125.304
flat angles C4'-P-C4' energy: -147.322
flat angles P-C4'-P energy: -79.268
tors. eta vs tors. theta energy: -157.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1685.274915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.274915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.274915 (E_RNA)
where:
Base-Base interactions energy: -1135.162
where: short stacking energy: -520.459
Base-Backbone interact. energy: -0.855
local terms energy: -549.257253
where:
bonds (distance) C4'-P energy: -98.515
bonds (distance) P-C4' energy: -115.069
flat angles C4'-P-C4' energy: -116.906
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -132.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1731.967084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.967084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.967084 (E_RNA)
where:
Base-Base interactions energy: -1176.624
where: short stacking energy: -495.060
Base-Backbone interact. energy: -2.935
local terms energy: -552.408110
where:
bonds (distance) C4'-P energy: -116.528
bonds (distance) P-C4' energy: -120.506
flat angles C4'-P-C4' energy: -109.106
flat angles P-C4'-P energy: -73.062
tors. eta vs tors. theta energy: -133.206
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: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1266.247226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.247226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.247226 (E_RNA)
where:
Base-Base interactions energy: -816.695
where: short stacking energy: -371.283
Base-Backbone interact. energy: -0.206
local terms energy: -449.346097
where:
bonds (distance) C4'-P energy: -76.392
bonds (distance) P-C4' energy: -121.561
flat angles C4'-P-C4' energy: -107.811
flat angles P-C4'-P energy: -68.196
tors. eta vs tors. theta energy: -75.386
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: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -933.402192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.402192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.402192 (E_RNA)
where:
Base-Base interactions energy: -517.778
where: short stacking energy: -259.064
Base-Backbone interact. energy: -0.758
local terms energy: -414.865748
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -109.819
flat angles C4'-P-C4' energy: -101.023
flat angles P-C4'-P energy: -70.614
tors. eta vs tors. theta energy: -30.552
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -726.002915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.002915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.002915 (E_RNA)
where:
Base-Base interactions energy: -408.244
where: short stacking energy: -217.842
Base-Backbone interact. energy: 5.386
local terms energy: -323.144451
where:
bonds (distance) C4'-P energy: -86.752
bonds (distance) P-C4' energy: -108.230
flat angles C4'-P-C4' energy: -97.251
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: 11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2301.557055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.557055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.557055 (E_RNA)
where:
Base-Base interactions energy: -1626.754
where: short stacking energy: -651.452
Base-Backbone interact. energy: -5.350
local terms energy: -669.453868
where:
bonds (distance) C4'-P energy: -121.581
bonds (distance) P-C4' energy: -131.828
flat angles C4'-P-C4' energy: -147.075
flat angles P-C4'-P energy: -103.501
tors. eta vs tors. theta energy: -165.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2298.664990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.664990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.664990 (E_RNA)
where:
Base-Base interactions energy: -1603.327
where: short stacking energy: -638.633
Base-Backbone interact. energy: -3.896
local terms energy: -691.441672
where:
bonds (distance) C4'-P energy: -139.055
bonds (distance) P-C4' energy: -134.912
flat angles C4'-P-C4' energy: -145.555
flat angles P-C4'-P energy: -92.465
tors. eta vs tors. theta energy: -179.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2139.976103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.976103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.976103 (E_RNA)
where:
Base-Base interactions energy: -1500.195
where: short stacking energy: -625.857
Base-Backbone interact. energy: -1.099
local terms energy: -638.681910
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -116.025
flat angles C4'-P-C4' energy: -134.850
flat angles P-C4'-P energy: -84.265
tors. eta vs tors. theta energy: -178.410
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: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2073.549751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.549751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.549751 (E_RNA)
where:
Base-Base interactions energy: -1396.510
where: short stacking energy: -629.103
Base-Backbone interact. energy: -1.749
local terms energy: -675.290798
where:
bonds (distance) C4'-P energy: -118.259
bonds (distance) P-C4' energy: -127.347
flat angles C4'-P-C4' energy: -143.096
flat angles P-C4'-P energy: -95.147
tors. eta vs tors. theta energy: -191.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1908.149879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.149879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.149879 (E_RNA)
where:
Base-Base interactions energy: -1289.819
where: short stacking energy: -560.821
Base-Backbone interact. energy: 3.208
local terms energy: -621.538866
where:
bonds (distance) C4'-P energy: -102.415
bonds (distance) P-C4' energy: -135.030
flat angles C4'-P-C4' energy: -140.415
flat angles P-C4'-P energy: -84.061
tors. eta vs tors. theta energy: -159.618
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1682.310293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.310293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.310293 (E_RNA)
where:
Base-Base interactions energy: -1143.807
where: short stacking energy: -486.274
Base-Backbone interact. energy: -3.982
local terms energy: -534.520695
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -113.997
flat angles C4'-P-C4' energy: -120.640
flat angles P-C4'-P energy: -72.881
tors. eta vs tors. theta energy: -126.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1673.071641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.071641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.071641 (E_RNA)
where:
Base-Base interactions energy: -1087.407
where: short stacking energy: -488.815
Base-Backbone interact. energy: 1.281
local terms energy: -586.945723
where:
bonds (distance) C4'-P energy: -124.323
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -127.328
flat angles P-C4'-P energy: -88.055
tors. eta vs tors. theta energy: -132.464
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: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1319.921598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.921598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.921598 (E_RNA)
where:
Base-Base interactions energy: -826.976
where: short stacking energy: -354.032
Base-Backbone interact. energy: 2.575
local terms energy: -495.520821
where:
bonds (distance) C4'-P energy: -117.545
bonds (distance) P-C4' energy: -120.401
flat angles C4'-P-C4' energy: -116.247
flat angles P-C4'-P energy: -82.659
tors. eta vs tors. theta energy: -58.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -914.402343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.402343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.402343 (E_RNA)
where:
Base-Base interactions energy: -516.288
where: short stacking energy: -277.240
Base-Backbone interact. energy: -2.275
local terms energy: -395.839078
where:
bonds (distance) C4'-P energy: -103.832
bonds (distance) P-C4' energy: -114.789
flat angles C4'-P-C4' energy: -108.879
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -30.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -792.046152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.046152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.046152 (E_RNA)
where:
Base-Base interactions energy: -427.730
where: short stacking energy: -226.725
Base-Backbone interact. energy: -2.110
local terms energy: -362.206191
where:
bonds (distance) C4'-P energy: -99.347
bonds (distance) P-C4' energy: -105.975
flat angles C4'-P-C4' energy: -88.620
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2315.807813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.807813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.807813 (E_RNA)
where:
Base-Base interactions energy: -1621.095
where: short stacking energy: -650.816
Base-Backbone interact. energy: -3.718
local terms energy: -690.995069
where:
bonds (distance) C4'-P energy: -137.493
bonds (distance) P-C4' energy: -129.454
flat angles C4'-P-C4' energy: -148.507
flat angles P-C4'-P energy: -101.546
tors. eta vs tors. theta energy: -173.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2254.653129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.653129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.653129 (E_RNA)
where:
Base-Base interactions energy: -1564.210
where: short stacking energy: -626.913
Base-Backbone interact. energy: -5.867
local terms energy: -684.576039
where:
bonds (distance) C4'-P energy: -118.589
bonds (distance) P-C4' energy: -141.481
flat angles C4'-P-C4' energy: -143.008
flat angles P-C4'-P energy: -96.304
tors. eta vs tors. theta energy: -185.194
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: 282
Temperature: 1.000000
Total energy: -2171.111652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.111652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.111652 (E_RNA)
where:
Base-Base interactions energy: -1514.675
where: short stacking energy: -623.032
Base-Backbone interact. energy: -3.557
local terms energy: -652.878994
where:
bonds (distance) C4'-P energy: -130.954
bonds (distance) P-C4' energy: -114.999
flat angles C4'-P-C4' energy: -143.029
flat angles P-C4'-P energy: -97.049
tors. eta vs tors. theta energy: -166.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2037.319759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.319759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.319759 (E_RNA)
where:
Base-Base interactions energy: -1357.921
where: short stacking energy: -589.365
Base-Backbone interact. energy: 3.690
local terms energy: -683.088581
where:
bonds (distance) C4'-P energy: -135.827
bonds (distance) P-C4' energy: -144.237
flat angles C4'-P-C4' energy: -134.937
flat angles P-C4'-P energy: -82.366
tors. eta vs tors. theta energy: -185.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1878.965291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.965291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.965291 (E_RNA)
where:
Base-Base interactions energy: -1298.682
where: short stacking energy: -549.136
Base-Backbone interact. energy: 3.055
local terms energy: -583.337924
where:
bonds (distance) C4'-P energy: -108.752
bonds (distance) P-C4' energy: -104.677
flat angles C4'-P-C4' energy: -129.728
flat angles P-C4'-P energy: -89.648
tors. eta vs tors. theta energy: -150.533
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: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1717.539220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.539220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.539220 (E_RNA)
where:
Base-Base interactions energy: -1138.882
where: short stacking energy: -494.233
Base-Backbone interact. energy: 4.080
local terms energy: -582.737005
where:
bonds (distance) C4'-P energy: -98.312
bonds (distance) P-C4' energy: -128.872
flat angles C4'-P-C4' energy: -139.725
flat angles P-C4'-P energy: -84.024
tors. eta vs tors. theta energy: -131.803
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: 282
Temperature: 1.200000
Total energy: -1681.210071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.210071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.210071 (E_RNA)
where:
Base-Base interactions energy: -1096.198
where: short stacking energy: -498.981
Base-Backbone interact. energy: -2.534
local terms energy: -582.477432
where:
bonds (distance) C4'-P energy: -116.466
bonds (distance) P-C4' energy: -120.347
flat angles C4'-P-C4' energy: -125.202
flat angles P-C4'-P energy: -72.045
tors. eta vs tors. theta energy: -148.417
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: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1288.488456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.488456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.488456 (E_RNA)
where:
Base-Base interactions energy: -824.984
where: short stacking energy: -356.301
Base-Backbone interact. energy: -4.531
local terms energy: -458.972687
where:
bonds (distance) C4'-P energy: -100.037
bonds (distance) P-C4' energy: -103.877
flat angles C4'-P-C4' energy: -123.092
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -71.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -930.171358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.171358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.171358 (E_RNA)
where:
Base-Base interactions energy: -509.522
where: short stacking energy: -260.334
Base-Backbone interact. energy: -1.781
local terms energy: -418.869096
where:
bonds (distance) C4'-P energy: -127.580
bonds (distance) P-C4' energy: -122.898
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -721.461698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.461698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.461698 (E_RNA)
where:
Base-Base interactions energy: -365.094
where: short stacking energy: -183.805
Base-Backbone interact. energy: 2.070
local terms energy: -358.437822
where:
bonds (distance) C4'-P energy: -120.790
bonds (distance) P-C4' energy: -97.004
flat angles C4'-P-C4' energy: -101.050
flat angles P-C4'-P energy: -49.253
tors. eta vs tors. theta energy: 9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2359.182459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.182459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.182459 (E_RNA)
where:
Base-Base interactions energy: -1662.097
where: short stacking energy: -691.288
Base-Backbone interact. energy: -2.332
local terms energy: -694.752591
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -133.197
flat angles C4'-P-C4' energy: -153.370
flat angles P-C4'-P energy: -105.147
tors. eta vs tors. theta energy: -185.483
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: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2231.419676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.419676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.419676 (E_RNA)
where:
Base-Base interactions energy: -1515.883
where: short stacking energy: -627.185
Base-Backbone interact. energy: -0.318
local terms energy: -715.218569
where:
bonds (distance) C4'-P energy: -142.018
bonds (distance) P-C4' energy: -133.258
flat angles C4'-P-C4' energy: -162.017
flat angles P-C4'-P energy: -99.780
tors. eta vs tors. theta energy: -178.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2177.511009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.511009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.511009 (E_RNA)
where:
Base-Base interactions energy: -1523.656
where: short stacking energy: -631.773
Base-Backbone interact. energy: -4.251
local terms energy: -649.603646
where:
bonds (distance) C4'-P energy: -112.815
bonds (distance) P-C4' energy: -128.980
flat angles C4'-P-C4' energy: -144.772
flat angles P-C4'-P energy: -96.011
tors. eta vs tors. theta energy: -167.026
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: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2030.052425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.052425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.052425 (E_RNA)
where:
Base-Base interactions energy: -1360.043
where: short stacking energy: -620.496
Base-Backbone interact. energy: 3.648
local terms energy: -673.657377
where:
bonds (distance) C4'-P energy: -112.415
bonds (distance) P-C4' energy: -146.528
flat angles C4'-P-C4' energy: -145.585
flat angles P-C4'-P energy: -99.596
tors. eta vs tors. theta energy: -169.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1897.164354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.164354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.164354 (E_RNA)
where:
Base-Base interactions energy: -1271.270
where: short stacking energy: -535.477
Base-Backbone interact. energy: -2.559
local terms energy: -623.334900
where:
bonds (distance) C4'-P energy: -123.678
bonds (distance) P-C4' energy: -123.122
flat angles C4'-P-C4' energy: -138.390
flat angles P-C4'-P energy: -88.834
tors. eta vs tors. theta energy: -149.311
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: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1707.474744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.474744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.474744 (E_RNA)
where:
Base-Base interactions energy: -1153.390
where: short stacking energy: -498.307
Base-Backbone interact. energy: -0.216
local terms energy: -553.869002
where:
bonds (distance) C4'-P energy: -119.065
bonds (distance) P-C4' energy: -101.457
flat angles C4'-P-C4' energy: -132.064
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -128.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1638.743911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.743911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.743911 (E_RNA)
where:
Base-Base interactions energy: -1092.117
where: short stacking energy: -488.604
Base-Backbone interact. energy: -1.711
local terms energy: -544.915765
where:
bonds (distance) C4'-P energy: -117.489
bonds (distance) P-C4' energy: -116.804
flat angles C4'-P-C4' energy: -120.597
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -116.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1339.943852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.943852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.943852 (E_RNA)
where:
Base-Base interactions energy: -864.231
where: short stacking energy: -394.089
Base-Backbone interact. energy: 4.547
local terms energy: -480.259571
where:
bonds (distance) C4'-P energy: -107.503
bonds (distance) P-C4' energy: -109.664
flat angles C4'-P-C4' energy: -120.957
flat angles P-C4'-P energy: -58.038
tors. eta vs tors. theta energy: -84.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -910.248894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.248894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.248894 (E_RNA)
where:
Base-Base interactions energy: -488.156
where: short stacking energy: -272.361
Base-Backbone interact. energy: 0.120
local terms energy: -422.213113
where:
bonds (distance) C4'-P energy: -108.402
bonds (distance) P-C4' energy: -125.350
flat angles C4'-P-C4' energy: -107.510
flat angles P-C4'-P energy: -52.089
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -760.348684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.348684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.348684 (E_RNA)
where:
Base-Base interactions energy: -411.272
where: short stacking energy: -220.764
Base-Backbone interact. energy: 2.704
local terms energy: -351.780934
where:
bonds (distance) C4'-P energy: -72.379
bonds (distance) P-C4' energy: -121.391
flat angles C4'-P-C4' energy: -91.145
flat angles P-C4'-P energy: -58.309
tors. eta vs tors. theta energy: -8.558
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: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2345.515467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.515467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.515467 (E_RNA)
where:
Base-Base interactions energy: -1609.444
where: short stacking energy: -662.133
Base-Backbone interact. energy: -1.638
local terms energy: -734.433907
where:
bonds (distance) C4'-P energy: -133.283
bonds (distance) P-C4' energy: -154.333
flat angles C4'-P-C4' energy: -149.821
flat angles P-C4'-P energy: -111.716
tors. eta vs tors. theta energy: -185.280
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: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2255.132040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.132040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.132040 (E_RNA)
where:
Base-Base interactions energy: -1542.016
where: short stacking energy: -668.033
Base-Backbone interact. energy: -0.290
local terms energy: -712.826532
where:
bonds (distance) C4'-P energy: -131.701
bonds (distance) P-C4' energy: -128.201
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -106.597
tors. eta vs tors. theta energy: -196.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2214.422590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.422590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.422590 (E_RNA)
where:
Base-Base interactions energy: -1545.001
where: short stacking energy: -645.452
Base-Backbone interact. energy: -3.563
local terms energy: -665.858764
where:
bonds (distance) C4'-P energy: -122.384
bonds (distance) P-C4' energy: -123.297
flat angles C4'-P-C4' energy: -138.879
flat angles P-C4'-P energy: -97.038
tors. eta vs tors. theta energy: -184.261
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: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2018.970188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.970188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.970188 (E_RNA)
where:
Base-Base interactions energy: -1386.276
where: short stacking energy: -598.489
Base-Backbone interact. energy: -1.959
local terms energy: -630.735429
where:
bonds (distance) C4'-P energy: -124.096
bonds (distance) P-C4' energy: -111.453
flat angles C4'-P-C4' energy: -137.558
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -178.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1789.509680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.509680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.509680 (E_RNA)
where:
Base-Base interactions energy: -1204.429
where: short stacking energy: -523.382
Base-Backbone interact. energy: -0.167
local terms energy: -584.914145
where:
bonds (distance) C4'-P energy: -107.470
bonds (distance) P-C4' energy: -124.986
flat angles C4'-P-C4' energy: -126.544
flat angles P-C4'-P energy: -92.869
tors. eta vs tors. theta energy: -133.044
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: 284
Temperature: 1.150000
Total energy: -1806.750733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.750733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.750733 (E_RNA)
where:
Base-Base interactions energy: -1209.109
where: short stacking energy: -510.871
Base-Backbone interact. energy: -4.209
local terms energy: -593.432751
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -123.637
flat angles C4'-P-C4' energy: -136.535
flat angles P-C4'-P energy: -79.413
tors. eta vs tors. theta energy: -151.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1692.161325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.161325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.161325 (E_RNA)
where:
Base-Base interactions energy: -1133.062
where: short stacking energy: -511.961
Base-Backbone interact. energy: -0.716
local terms energy: -558.383885
where:
bonds (distance) C4'-P energy: -74.090
bonds (distance) P-C4' energy: -122.905
flat angles C4'-P-C4' energy: -126.643
flat angles P-C4'-P energy: -84.489
tors. eta vs tors. theta energy: -150.257
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: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1321.224891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.224891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.224891 (E_RNA)
where:
Base-Base interactions energy: -858.835
where: short stacking energy: -388.367
Base-Backbone interact. energy: -2.571
local terms energy: -459.818606
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -124.734
flat angles C4'-P-C4' energy: -114.193
flat angles P-C4'-P energy: -48.097
tors. eta vs tors. theta energy: -75.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -798.138453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.138453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.138453 (E_RNA)
where:
Base-Base interactions energy: -425.865
where: short stacking energy: -233.768
Base-Backbone interact. energy: 5.411
local terms energy: -377.684540
where:
bonds (distance) C4'-P energy: -93.195
bonds (distance) P-C4' energy: -104.930
flat angles C4'-P-C4' energy: -95.392
flat angles P-C4'-P energy: -55.409
tors. eta vs tors. theta energy: -28.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -750.423937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.423937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.423937 (E_RNA)
where:
Base-Base interactions energy: -390.843
where: short stacking energy: -209.883
Base-Backbone interact. energy: 0.656
local terms energy: -360.236686
where:
bonds (distance) C4'-P energy: -103.863
bonds (distance) P-C4' energy: -119.831
flat angles C4'-P-C4' energy: -100.726
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: -1.548
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: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2353.328299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.328299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.328299 (E_RNA)
where:
Base-Base interactions energy: -1653.812
where: short stacking energy: -674.516
Base-Backbone interact. energy: 0.282
local terms energy: -699.799004
where:
bonds (distance) C4'-P energy: -127.164
bonds (distance) P-C4' energy: -124.179
flat angles C4'-P-C4' energy: -155.566
flat angles P-C4'-P energy: -111.983
tors. eta vs tors. theta energy: -180.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2236.490264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.490264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.490264 (E_RNA)
where:
Base-Base interactions energy: -1548.970
where: short stacking energy: -627.976
Base-Backbone interact. energy: 1.495
local terms energy: -689.014956
where:
bonds (distance) C4'-P energy: -128.167
bonds (distance) P-C4' energy: -133.844
flat angles C4'-P-C4' energy: -135.388
flat angles P-C4'-P energy: -105.309
tors. eta vs tors. theta energy: -186.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2184.835277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.835277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.835277 (E_RNA)
where:
Base-Base interactions energy: -1554.372
where: short stacking energy: -659.127
Base-Backbone interact. energy: -2.241
local terms energy: -628.222947
where:
bonds (distance) C4'-P energy: -107.236
bonds (distance) P-C4' energy: -115.768
flat angles C4'-P-C4' energy: -129.786
flat angles P-C4'-P energy: -89.395
tors. eta vs tors. theta energy: -186.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2000.154628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.154628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.154628 (E_RNA)
where:
Base-Base interactions energy: -1352.801
where: short stacking energy: -585.496
Base-Backbone interact. energy: -2.851
local terms energy: -644.502822
where:
bonds (distance) C4'-P energy: -136.124
bonds (distance) P-C4' energy: -115.875
flat angles C4'-P-C4' energy: -141.951
flat angles P-C4'-P energy: -82.039
tors. eta vs tors. theta energy: -168.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1808.707582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.707582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.707582 (E_RNA)
where:
Base-Base interactions energy: -1195.943
where: short stacking energy: -530.413
Base-Backbone interact. energy: -2.768
local terms energy: -609.997443
where:
bonds (distance) C4'-P energy: -125.797
bonds (distance) P-C4' energy: -111.091
flat angles C4'-P-C4' energy: -142.225
flat angles P-C4'-P energy: -95.917
tors. eta vs tors. theta energy: -134.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1845.064941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.064941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.064941 (E_RNA)
where:
Base-Base interactions energy: -1300.571
where: short stacking energy: -529.739
Base-Backbone interact. energy: 0.073
local terms energy: -544.566956
where:
bonds (distance) C4'-P energy: -108.458
bonds (distance) P-C4' energy: -90.041
flat angles C4'-P-C4' energy: -129.428
flat angles P-C4'-P energy: -71.684
tors. eta vs tors. theta energy: -144.955
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: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1652.207704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.207704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.207704 (E_RNA)
where:
Base-Base interactions energy: -1110.829
where: short stacking energy: -495.233
Base-Backbone interact. energy: -2.858
local terms energy: -538.520584
where:
bonds (distance) C4'-P energy: -109.028
bonds (distance) P-C4' energy: -124.437
flat angles C4'-P-C4' energy: -115.638
flat angles P-C4'-P energy: -59.732
tors. eta vs tors. theta energy: -129.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1252.761745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.761745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.761745 (E_RNA)
where:
Base-Base interactions energy: -777.017
where: short stacking energy: -361.606
Base-Backbone interact. energy: -2.164
local terms energy: -473.580686
where:
bonds (distance) C4'-P energy: -106.213
bonds (distance) P-C4' energy: -109.852
flat angles C4'-P-C4' energy: -110.151
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -75.273
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: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -882.906104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.906104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.906104 (E_RNA)
where:
Base-Base interactions energy: -487.350
where: short stacking energy: -244.809
Base-Backbone interact. energy: -0.281
local terms energy: -395.274947
where:
bonds (distance) C4'-P energy: -102.247
bonds (distance) P-C4' energy: -125.673
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -53.064
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -820.530795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.530795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.530795 (E_RNA)
where:
Base-Base interactions energy: -438.969
where: short stacking energy: -213.182
Base-Backbone interact. energy: 13.549
local terms energy: -395.111026
where:
bonds (distance) C4'-P energy: -114.066
bonds (distance) P-C4' energy: -111.412
flat angles C4'-P-C4' energy: -106.565
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -10.428
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: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2375.620428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.620428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.620428 (E_RNA)
where:
Base-Base interactions energy: -1655.452
where: short stacking energy: -677.065
Base-Backbone interact. energy: -3.235
local terms energy: -716.933840
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -127.676
flat angles C4'-P-C4' energy: -157.268
flat angles P-C4'-P energy: -107.669
tors. eta vs tors. theta energy: -186.252
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: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2246.933152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.933152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.933152 (E_RNA)
where:
Base-Base interactions energy: -1577.016
where: short stacking energy: -651.947
Base-Backbone interact. energy: -5.812
local terms energy: -664.105692
where:
bonds (distance) C4'-P energy: -127.256
bonds (distance) P-C4' energy: -128.851
flat angles C4'-P-C4' energy: -137.009
flat angles P-C4'-P energy: -97.570
tors. eta vs tors. theta energy: -173.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2173.581344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.581344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.581344 (E_RNA)
where:
Base-Base interactions energy: -1509.433
where: short stacking energy: -638.013
Base-Backbone interact. energy: -3.195
local terms energy: -660.953326
where:
bonds (distance) C4'-P energy: -114.244
bonds (distance) P-C4' energy: -123.847
flat angles C4'-P-C4' energy: -153.318
flat angles P-C4'-P energy: -85.220
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: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2050.855617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.855617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.855617 (E_RNA)
where:
Base-Base interactions energy: -1394.196
where: short stacking energy: -620.323
Base-Backbone interact. energy: -2.876
local terms energy: -653.783667
where:
bonds (distance) C4'-P energy: -114.957
bonds (distance) P-C4' energy: -128.444
flat angles C4'-P-C4' energy: -132.426
flat angles P-C4'-P energy: -89.713
tors. eta vs tors. theta energy: -188.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1921.673719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.673719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.673719 (E_RNA)
where:
Base-Base interactions energy: -1294.808
where: short stacking energy: -590.773
Base-Backbone interact. energy: -2.095
local terms energy: -624.770944
where:
bonds (distance) C4'-P energy: -131.167
bonds (distance) P-C4' energy: -113.876
flat angles C4'-P-C4' energy: -138.876
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -156.946
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: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1748.334818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.334818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.334818 (E_RNA)
where:
Base-Base interactions energy: -1151.135
where: short stacking energy: -507.238
Base-Backbone interact. energy: -2.114
local terms energy: -595.085243
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -120.122
flat angles C4'-P-C4' energy: -138.026
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -140.075
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: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1643.442397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.442397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.442397 (E_RNA)
where:
Base-Base interactions energy: -1122.007
where: short stacking energy: -464.583
Base-Backbone interact. energy: 3.203
local terms energy: -524.638768
where:
bonds (distance) C4'-P energy: -107.563
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -107.482
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -116.141
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: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1292.548242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.548242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.548242 (E_RNA)
where:
Base-Base interactions energy: -800.600
where: short stacking energy: -386.051
Base-Backbone interact. energy: 0.487
local terms energy: -492.434380
where:
bonds (distance) C4'-P energy: -110.506
bonds (distance) P-C4' energy: -121.922
flat angles C4'-P-C4' energy: -119.947
flat angles P-C4'-P energy: -68.116
tors. eta vs tors. theta energy: -71.943
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: 286
Temperature: 1.300000
Total energy: -850.507745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.507745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.507745 (E_RNA)
where:
Base-Base interactions energy: -462.179
where: short stacking energy: -225.062
Base-Backbone interact. energy: -0.604
local terms energy: -387.724067
where:
bonds (distance) C4'-P energy: -113.800
bonds (distance) P-C4' energy: -110.889
flat angles C4'-P-C4' energy: -85.995
flat angles P-C4'-P energy: -67.134
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -775.406772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.406772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.406772 (E_RNA)
where:
Base-Base interactions energy: -425.250
where: short stacking energy: -235.863
Base-Backbone interact. energy: -1.333
local terms energy: -348.823089
where:
bonds (distance) C4'-P energy: -85.987
bonds (distance) P-C4' energy: -97.108
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: -7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2383.767885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.767885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.767885 (E_RNA)
where:
Base-Base interactions energy: -1684.282
where: short stacking energy: -661.653
Base-Backbone interact. energy: -2.953
local terms energy: -696.532667
where:
bonds (distance) C4'-P energy: -125.687
bonds (distance) P-C4' energy: -133.119
flat angles C4'-P-C4' energy: -152.560
flat angles P-C4'-P energy: -101.596
tors. eta vs tors. theta energy: -183.570
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: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2256.279564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.279564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.279564 (E_RNA)
where:
Base-Base interactions energy: -1583.160
where: short stacking energy: -641.196
Base-Backbone interact. energy: -0.647
local terms energy: -672.473342
where:
bonds (distance) C4'-P energy: -120.506
bonds (distance) P-C4' energy: -131.197
flat angles C4'-P-C4' energy: -137.112
flat angles P-C4'-P energy: -102.737
tors. eta vs tors. theta energy: -180.921
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: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2224.533966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.533966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.533966 (E_RNA)
where:
Base-Base interactions energy: -1556.330
where: short stacking energy: -644.020
Base-Backbone interact. energy: -3.205
local terms energy: -664.998999
where:
bonds (distance) C4'-P energy: -126.141
bonds (distance) P-C4' energy: -114.227
flat angles C4'-P-C4' energy: -153.179
flat angles P-C4'-P energy: -84.005
tors. eta vs tors. theta energy: -187.447
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: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2063.914485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.914485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.914485 (E_RNA)
where:
Base-Base interactions energy: -1378.489
where: short stacking energy: -604.750
Base-Backbone interact. energy: -4.489
local terms energy: -680.936229
where:
bonds (distance) C4'-P energy: -129.903
bonds (distance) P-C4' energy: -136.714
flat angles C4'-P-C4' energy: -141.563
flat angles P-C4'-P energy: -95.404
tors. eta vs tors. theta energy: -177.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2021.474032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.474032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.474032 (E_RNA)
where:
Base-Base interactions energy: -1399.916
where: short stacking energy: -621.176
Base-Backbone interact. energy: -0.545
local terms energy: -621.012833
where:
bonds (distance) C4'-P energy: -109.709
bonds (distance) P-C4' energy: -114.277
flat angles C4'-P-C4' energy: -124.162
flat angles P-C4'-P energy: -90.020
tors. eta vs tors. theta energy: -182.845
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: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1805.658035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.658035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.658035 (E_RNA)
where:
Base-Base interactions energy: -1216.455
where: short stacking energy: -543.958
Base-Backbone interact. energy: -2.409
local terms energy: -586.793572
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -129.733
flat angles C4'-P-C4' energy: -143.614
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -145.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1714.480856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.480856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.480856 (E_RNA)
where:
Base-Base interactions energy: -1160.671
where: short stacking energy: -503.615
Base-Backbone interact. energy: 0.988
local terms energy: -554.798003
where:
bonds (distance) C4'-P energy: -109.630
bonds (distance) P-C4' energy: -118.869
flat angles C4'-P-C4' energy: -128.199
flat angles P-C4'-P energy: -71.367
tors. eta vs tors. theta energy: -126.734
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: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1235.449481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.449481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.449481 (E_RNA)
where:
Base-Base interactions energy: -790.389
where: short stacking energy: -367.898
Base-Backbone interact. energy: 2.779
local terms energy: -447.839215
where:
bonds (distance) C4'-P energy: -106.999
bonds (distance) P-C4' energy: -105.435
flat angles C4'-P-C4' energy: -120.643
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -67.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -950.436528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.436528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.436528 (E_RNA)
where:
Base-Base interactions energy: -542.718
where: short stacking energy: -260.748
Base-Backbone interact. energy: -1.864
local terms energy: -405.854346
where:
bonds (distance) C4'-P energy: -97.792
bonds (distance) P-C4' energy: -120.200
flat angles C4'-P-C4' energy: -101.036
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -811.699052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.699052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.699052 (E_RNA)
where:
Base-Base interactions energy: -437.005
where: short stacking energy: -246.569
Base-Backbone interact. energy: -0.455
local terms energy: -374.238928
where:
bonds (distance) C4'-P energy: -99.100
bonds (distance) P-C4' energy: -110.903
flat angles C4'-P-C4' energy: -105.251
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2383.298253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.298253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.298253 (E_RNA)
where:
Base-Base interactions energy: -1649.702
where: short stacking energy: -679.014
Base-Backbone interact. energy: -0.630
local terms energy: -732.966042
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -146.603
flat angles C4'-P-C4' energy: -156.365
flat angles P-C4'-P energy: -105.706
tors. eta vs tors. theta energy: -184.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2231.002210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.002210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.002210 (E_RNA)
where:
Base-Base interactions energy: -1576.275
where: short stacking energy: -622.193
Base-Backbone interact. energy: -2.303
local terms energy: -652.424112
where:
bonds (distance) C4'-P energy: -117.407
bonds (distance) P-C4' energy: -138.957
flat angles C4'-P-C4' energy: -131.485
flat angles P-C4'-P energy: -82.303
tors. eta vs tors. theta energy: -182.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2207.976743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.976743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.976743 (E_RNA)
where:
Base-Base interactions energy: -1538.511
where: short stacking energy: -640.566
Base-Backbone interact. energy: -2.727
local terms energy: -666.738399
where:
bonds (distance) C4'-P energy: -114.351
bonds (distance) P-C4' energy: -134.940
flat angles C4'-P-C4' energy: -153.922
flat angles P-C4'-P energy: -82.106
tors. eta vs tors. theta energy: -181.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2041.811133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.811133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.811133 (E_RNA)
where:
Base-Base interactions energy: -1403.622
where: short stacking energy: -611.183
Base-Backbone interact. energy: -2.368
local terms energy: -635.820746
where:
bonds (distance) C4'-P energy: -119.298
bonds (distance) P-C4' energy: -128.874
flat angles C4'-P-C4' energy: -128.992
flat angles P-C4'-P energy: -77.710
tors. eta vs tors. theta energy: -180.947
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: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1987.335758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.335758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.335758 (E_RNA)
where:
Base-Base interactions energy: -1374.149
where: short stacking energy: -572.621
Base-Backbone interact. energy: 1.393
local terms energy: -614.580009
where:
bonds (distance) C4'-P energy: -103.232
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -138.941
flat angles P-C4'-P energy: -81.820
tors. eta vs tors. theta energy: -174.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1746.076304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.076304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.076304 (E_RNA)
where:
Base-Base interactions energy: -1180.922
where: short stacking energy: -531.466
Base-Backbone interact. energy: -2.713
local terms energy: -562.441072
where:
bonds (distance) C4'-P energy: -109.262
bonds (distance) P-C4' energy: -98.096
flat angles C4'-P-C4' energy: -125.226
flat angles P-C4'-P energy: -85.612
tors. eta vs tors. theta energy: -144.246
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1750.431882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.431882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.431882 (E_RNA)
where:
Base-Base interactions energy: -1194.585
where: short stacking energy: -473.458
Base-Backbone interact. energy: -3.495
local terms energy: -552.352384
where:
bonds (distance) C4'-P energy: -117.278
bonds (distance) P-C4' energy: -111.589
flat angles C4'-P-C4' energy: -126.193
flat angles P-C4'-P energy: -76.173
tors. eta vs tors. theta energy: -121.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1345.311163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.311163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.311163 (E_RNA)
where:
Base-Base interactions energy: -845.131
where: short stacking energy: -404.702
Base-Backbone interact. energy: -1.120
local terms energy: -499.060251
where:
bonds (distance) C4'-P energy: -89.273
bonds (distance) P-C4' energy: -114.058
flat angles C4'-P-C4' energy: -110.844
flat angles P-C4'-P energy: -86.670
tors. eta vs tors. theta energy: -98.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -958.718898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.718898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.718898 (E_RNA)
where:
Base-Base interactions energy: -557.135
where: short stacking energy: -270.889
Base-Backbone interact. energy: 1.439
local terms energy: -403.022881
where:
bonds (distance) C4'-P energy: -107.146
bonds (distance) P-C4' energy: -112.473
flat angles C4'-P-C4' energy: -99.067
flat angles P-C4'-P energy: -53.920
tors. eta vs tors. theta energy: -30.417
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: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -784.446852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.446852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.446852 (E_RNA)
where:
Base-Base interactions energy: -419.209
where: short stacking energy: -264.496
Base-Backbone interact. energy: 6.676
local terms energy: -371.913551
where:
bonds (distance) C4'-P energy: -89.208
bonds (distance) P-C4' energy: -111.005
flat angles C4'-P-C4' energy: -89.715
flat angles P-C4'-P energy: -56.365
tors. eta vs tors. theta energy: -25.620
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: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2383.379475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.379475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.379475 (E_RNA)
where:
Base-Base interactions energy: -1689.751
where: short stacking energy: -668.113
Base-Backbone interact. energy: 0.456
local terms energy: -694.083999
where:
bonds (distance) C4'-P energy: -135.042
bonds (distance) P-C4' energy: -120.334
flat angles C4'-P-C4' energy: -156.158
flat angles P-C4'-P energy: -102.723
tors. eta vs tors. theta energy: -179.827
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: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2256.309445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.309445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.309445 (E_RNA)
where:
Base-Base interactions energy: -1558.907
where: short stacking energy: -628.933
Base-Backbone interact. energy: -3.823
local terms energy: -693.579303
where:
bonds (distance) C4'-P energy: -131.759
bonds (distance) P-C4' energy: -131.166
flat angles C4'-P-C4' energy: -148.623
flat angles P-C4'-P energy: -107.684
tors. eta vs tors. theta energy: -174.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2197.946786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.946786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.946786 (E_RNA)
where:
Base-Base interactions energy: -1536.766
where: short stacking energy: -644.580
Base-Backbone interact. energy: -3.230
local terms energy: -657.950761
where:
bonds (distance) C4'-P energy: -125.674
bonds (distance) P-C4' energy: -118.494
flat angles C4'-P-C4' energy: -138.369
flat angles P-C4'-P energy: -88.456
tors. eta vs tors. theta energy: -186.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2076.580368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.580368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.580368 (E_RNA)
where:
Base-Base interactions energy: -1429.208
where: short stacking energy: -611.567
Base-Backbone interact. energy: -2.136
local terms energy: -645.236648
where:
bonds (distance) C4'-P energy: -118.054
bonds (distance) P-C4' energy: -121.080
flat angles C4'-P-C4' energy: -134.347
flat angles P-C4'-P energy: -97.571
tors. eta vs tors. theta energy: -174.185
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1955.547039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.547039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.547039 (E_RNA)
where:
Base-Base interactions energy: -1366.382
where: short stacking energy: -565.869
Base-Backbone interact. energy: -1.707
local terms energy: -587.458226
where:
bonds (distance) C4'-P energy: -102.123
bonds (distance) P-C4' energy: -104.976
flat angles C4'-P-C4' energy: -121.847
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: -173.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1710.094993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.094993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.094993 (E_RNA)
where:
Base-Base interactions energy: -1160.115
where: short stacking energy: -477.246
Base-Backbone interact. energy: -0.762
local terms energy: -549.218114
where:
bonds (distance) C4'-P energy: -112.605
bonds (distance) P-C4' energy: -131.317
flat angles C4'-P-C4' energy: -117.138
flat angles P-C4'-P energy: -73.567
tors. eta vs tors. theta energy: -114.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1634.823448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.823448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.823448 (E_RNA)
where:
Base-Base interactions energy: -1123.279
where: short stacking energy: -473.661
Base-Backbone interact. energy: 2.566
local terms energy: -514.110049
where:
bonds (distance) C4'-P energy: -99.524
bonds (distance) P-C4' energy: -111.971
flat angles C4'-P-C4' energy: -118.216
flat angles P-C4'-P energy: -69.076
tors. eta vs tors. theta energy: -115.323
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: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1364.694299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.694299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.694299 (E_RNA)
where:
Base-Base interactions energy: -876.537
where: short stacking energy: -387.683
Base-Backbone interact. energy: -2.853
local terms energy: -485.304429
where:
bonds (distance) C4'-P energy: -99.782
bonds (distance) P-C4' energy: -110.818
flat angles C4'-P-C4' energy: -108.439
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -101.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -854.808722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.808722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.808722 (E_RNA)
where:
Base-Base interactions energy: -457.799
where: short stacking energy: -218.211
Base-Backbone interact. energy: -1.643
local terms energy: -395.366716
where:
bonds (distance) C4'-P energy: -117.481
bonds (distance) P-C4' energy: -109.896
flat angles C4'-P-C4' energy: -93.590
flat angles P-C4'-P energy: -65.058
tors. eta vs tors. theta energy: -9.343
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: 289
Temperature: 1.350000
Total energy: -763.015059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.015059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.015059 (E_RNA)
where:
Base-Base interactions energy: -406.994
where: short stacking energy: -210.379
Base-Backbone interact. energy: 0.538
local terms energy: -356.559034
where:
bonds (distance) C4'-P energy: -104.862
bonds (distance) P-C4' energy: -106.266
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -50.638
tors. eta vs tors. theta energy: 3.384
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: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2342.110176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.110176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.110176 (E_RNA)
where:
Base-Base interactions energy: -1648.735
where: short stacking energy: -646.190
Base-Backbone interact. energy: -1.938
local terms energy: -691.437111
where:
bonds (distance) C4'-P energy: -118.106
bonds (distance) P-C4' energy: -141.086
flat angles C4'-P-C4' energy: -146.972
flat angles P-C4'-P energy: -110.901
tors. eta vs tors. theta energy: -174.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2247.431131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.431131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.431131 (E_RNA)
where:
Base-Base interactions energy: -1570.149
where: short stacking energy: -653.965
Base-Backbone interact. energy: -3.344
local terms energy: -673.938029
where:
bonds (distance) C4'-P energy: -132.000
bonds (distance) P-C4' energy: -129.476
flat angles C4'-P-C4' energy: -144.673
flat angles P-C4'-P energy: -87.776
tors. eta vs tors. theta energy: -180.013
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: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2195.964298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.964298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.964298 (E_RNA)
where:
Base-Base interactions energy: -1519.897
where: short stacking energy: -628.820
Base-Backbone interact. energy: -2.799
local terms energy: -673.268110
where:
bonds (distance) C4'-P energy: -114.305
bonds (distance) P-C4' energy: -132.852
flat angles C4'-P-C4' energy: -145.288
flat angles P-C4'-P energy: -99.656
tors. eta vs tors. theta energy: -181.168
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: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2019.080491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.080491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.080491 (E_RNA)
where:
Base-Base interactions energy: -1390.145
where: short stacking energy: -590.903
Base-Backbone interact. energy: -1.702
local terms energy: -627.233355
where:
bonds (distance) C4'-P energy: -123.117
bonds (distance) P-C4' energy: -131.665
flat angles C4'-P-C4' energy: -120.738
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -171.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1963.806533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.806533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.806533 (E_RNA)
where:
Base-Base interactions energy: -1360.236
where: short stacking energy: -572.569
Base-Backbone interact. energy: -0.621
local terms energy: -602.949384
where:
bonds (distance) C4'-P energy: -115.608
bonds (distance) P-C4' energy: -111.050
flat angles C4'-P-C4' energy: -141.145
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -155.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1687.177318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.177318 (E_RNA)
where:
Base-Base interactions energy: -1163.875
where: short stacking energy: -486.719
Base-Backbone interact. energy: -3.469
local terms energy: -519.833610
where:
bonds (distance) C4'-P energy: -95.667
bonds (distance) P-C4' energy: -122.400
flat angles C4'-P-C4' energy: -125.344
flat angles P-C4'-P energy: -72.094
tors. eta vs tors. theta energy: -104.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1664.102529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.102529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.102529 (E_RNA)
where:
Base-Base interactions energy: -1085.169
where: short stacking energy: -491.231
Base-Backbone interact. energy: 0.826
local terms energy: -579.759181
where:
bonds (distance) C4'-P energy: -112.281
bonds (distance) P-C4' energy: -132.701
flat angles C4'-P-C4' energy: -134.813
flat angles P-C4'-P energy: -77.949
tors. eta vs tors. theta energy: -122.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1339.340746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.340746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.340746 (E_RNA)
where:
Base-Base interactions energy: -869.262
where: short stacking energy: -396.568
Base-Backbone interact. energy: 2.653
local terms energy: -472.731719
where:
bonds (distance) C4'-P energy: -99.090
bonds (distance) P-C4' energy: -125.289
flat angles C4'-P-C4' energy: -98.741
flat angles P-C4'-P energy: -68.507
tors. eta vs tors. theta energy: -81.105
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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -859.715469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.715469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.715469 (E_RNA)
where:
Base-Base interactions energy: -441.598
where: short stacking energy: -233.669
Base-Backbone interact. energy: -0.570
local terms energy: -417.547480
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -124.217
flat angles C4'-P-C4' energy: -113.923
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -762.822779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.822779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.822779 (E_RNA)
where:
Base-Base interactions energy: -384.485
where: short stacking energy: -204.999
Base-Backbone interact. energy: -3.044
local terms energy: -375.293078
where:
bonds (distance) C4'-P energy: -107.965
bonds (distance) P-C4' energy: -110.631
flat angles C4'-P-C4' energy: -88.868
flat angles P-C4'-P energy: -55.904
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2361.217814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.217814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.217814 (E_RNA)
where:
Base-Base interactions energy: -1662.946
where: short stacking energy: -688.431
Base-Backbone interact. energy: 0.910
local terms energy: -699.182298
where:
bonds (distance) C4'-P energy: -133.138
bonds (distance) P-C4' energy: -132.942
flat angles C4'-P-C4' energy: -150.780
flat angles P-C4'-P energy: -100.845
tors. eta vs tors. theta energy: -181.477
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2236.512917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.512917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.512917 (E_RNA)
where:
Base-Base interactions energy: -1584.330
where: short stacking energy: -626.189
Base-Backbone interact. energy: -0.927
local terms energy: -651.255935
where:
bonds (distance) C4'-P energy: -120.680
bonds (distance) P-C4' energy: -131.969
flat angles C4'-P-C4' energy: -134.991
flat angles P-C4'-P energy: -84.404
tors. eta vs tors. theta energy: -179.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2203.186274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.186274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.186274 (E_RNA)
where:
Base-Base interactions energy: -1526.390
where: short stacking energy: -626.235
Base-Backbone interact. energy: 1.526
local terms energy: -678.321588
where:
bonds (distance) C4'-P energy: -133.040
bonds (distance) P-C4' energy: -123.591
flat angles C4'-P-C4' energy: -148.722
flat angles P-C4'-P energy: -87.788
tors. eta vs tors. theta energy: -185.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2045.549036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.549036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.549036 (E_RNA)
where:
Base-Base interactions energy: -1396.399
where: short stacking energy: -609.055
Base-Backbone interact. energy: -1.965
local terms energy: -647.184655
where:
bonds (distance) C4'-P energy: -126.735
bonds (distance) P-C4' energy: -119.842
flat angles C4'-P-C4' energy: -143.195
flat angles P-C4'-P energy: -83.020
tors. eta vs tors. theta energy: -174.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1961.099741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.099741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.099741 (E_RNA)
where:
Base-Base interactions energy: -1327.935
where: short stacking energy: -551.663
Base-Backbone interact. energy: -3.509
local terms energy: -629.656018
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -131.733
flat angles C4'-P-C4' energy: -125.759
flat angles P-C4'-P energy: -95.720
tors. eta vs tors. theta energy: -160.205
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: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1652.330307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.330307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.330307 (E_RNA)
where:
Base-Base interactions energy: -1090.264
where: short stacking energy: -501.038
Base-Backbone interact. energy: -1.162
local terms energy: -560.904584
where:
bonds (distance) C4'-P energy: -102.555
bonds (distance) P-C4' energy: -130.338
flat angles C4'-P-C4' energy: -130.929
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: -132.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1622.379830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.379830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.379830 (E_RNA)
where:
Base-Base interactions energy: -1101.934
where: short stacking energy: -487.001
Base-Backbone interact. energy: -4.826
local terms energy: -515.620406
where:
bonds (distance) C4'-P energy: -112.256
bonds (distance) P-C4' energy: -100.395
flat angles C4'-P-C4' energy: -113.954
flat angles P-C4'-P energy: -72.347
tors. eta vs tors. theta energy: -116.668
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1373.818020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.818020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.818020 (E_RNA)
where:
Base-Base interactions energy: -863.270
where: short stacking energy: -400.685
Base-Backbone interact. energy: -1.631
local terms energy: -508.916809
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -116.935
flat angles C4'-P-C4' energy: -96.672
flat angles P-C4'-P energy: -89.479
tors. eta vs tors. theta energy: -103.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -904.344036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.344036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.344036 (E_RNA)
where:
Base-Base interactions energy: -520.508
where: short stacking energy: -255.339
Base-Backbone interact. energy: -5.038
local terms energy: -378.798368
where:
bonds (distance) C4'-P energy: -89.520
bonds (distance) P-C4' energy: -114.125
flat angles C4'-P-C4' energy: -111.456
flat angles P-C4'-P energy: -54.706
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -764.384900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.384900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.384900 (E_RNA)
where:
Base-Base interactions energy: -423.141
where: short stacking energy: -227.917
Base-Backbone interact. energy: 5.294
local terms energy: -346.538144
where:
bonds (distance) C4'-P energy: -98.992
bonds (distance) P-C4' energy: -113.386
flat angles C4'-P-C4' energy: -71.527
flat angles P-C4'-P energy: -62.122
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2384.998111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.998111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.998111 (E_RNA)
where:
Base-Base interactions energy: -1671.026
where: short stacking energy: -668.814
Base-Backbone interact. energy: -3.695
local terms energy: -710.277410
where:
bonds (distance) C4'-P energy: -130.361
bonds (distance) P-C4' energy: -144.530
flat angles C4'-P-C4' energy: -149.509
flat angles P-C4'-P energy: -107.103
tors. eta vs tors. theta energy: -178.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2224.221689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.221689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.221689 (E_RNA)
where:
Base-Base interactions energy: -1558.281
where: short stacking energy: -632.966
Base-Backbone interact. energy: -3.358
local terms energy: -662.583239
where:
bonds (distance) C4'-P energy: -131.989
bonds (distance) P-C4' energy: -125.026
flat angles C4'-P-C4' energy: -147.778
flat angles P-C4'-P energy: -84.379
tors. eta vs tors. theta energy: -173.412
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: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2224.742618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.742618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.742618 (E_RNA)
where:
Base-Base interactions energy: -1569.270
where: short stacking energy: -654.729
Base-Backbone interact. energy: -1.972
local terms energy: -653.500574
where:
bonds (distance) C4'-P energy: -119.489
bonds (distance) P-C4' energy: -117.447
flat angles C4'-P-C4' energy: -133.261
flat angles P-C4'-P energy: -98.352
tors. eta vs tors. theta energy: -184.950
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: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2048.547255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.547255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.547255 (E_RNA)
where:
Base-Base interactions energy: -1388.613
where: short stacking energy: -583.882
Base-Backbone interact. energy: -2.257
local terms energy: -657.677678
where:
bonds (distance) C4'-P energy: -123.503
bonds (distance) P-C4' energy: -123.053
flat angles C4'-P-C4' energy: -138.719
flat angles P-C4'-P energy: -104.873
tors. eta vs tors. theta energy: -167.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1961.462874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.462874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.462874 (E_RNA)
where:
Base-Base interactions energy: -1334.924
where: short stacking energy: -565.914
Base-Backbone interact. energy: -0.511
local terms energy: -626.028179
where:
bonds (distance) C4'-P energy: -116.316
bonds (distance) P-C4' energy: -120.856
flat angles C4'-P-C4' energy: -126.299
flat angles P-C4'-P energy: -94.452
tors. eta vs tors. theta energy: -168.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1713.088493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.088493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.088493 (E_RNA)
where:
Base-Base interactions energy: -1122.412
where: short stacking energy: -508.628
Base-Backbone interact. energy: -3.025
local terms energy: -587.651419
where:
bonds (distance) C4'-P energy: -113.388
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -124.335
flat angles P-C4'-P energy: -91.501
tors. eta vs tors. theta energy: -143.526
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: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1632.919597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.919597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.919597 (E_RNA)
where:
Base-Base interactions energy: -1108.169
where: short stacking energy: -470.385
Base-Backbone interact. energy: -0.374
local terms energy: -524.377079
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -102.629
flat angles C4'-P-C4' energy: -133.815
flat angles P-C4'-P energy: -65.171
tors. eta vs tors. theta energy: -109.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1418.339199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.339199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.339199 (E_RNA)
where:
Base-Base interactions energy: -937.520
where: short stacking energy: -396.915
Base-Backbone interact. energy: 2.674
local terms energy: -483.493871
where:
bonds (distance) C4'-P energy: -117.884
bonds (distance) P-C4' energy: -108.539
flat angles C4'-P-C4' energy: -110.806
flat angles P-C4'-P energy: -61.883
tors. eta vs tors. theta energy: -84.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -945.906775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.906775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.906775 (E_RNA)
where:
Base-Base interactions energy: -557.398
where: short stacking energy: -265.416
Base-Backbone interact. energy: -2.306
local terms energy: -386.203532
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -107.102
flat angles C4'-P-C4' energy: -108.082
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -820.608658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.608658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.608658 (E_RNA)
where:
Base-Base interactions energy: -484.025
where: short stacking energy: -247.396
Base-Backbone interact. energy: 2.870
local terms energy: -339.453525
where:
bonds (distance) C4'-P energy: -88.799
bonds (distance) P-C4' energy: -119.747
flat angles C4'-P-C4' energy: -84.835
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: -2.817
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: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2368.391373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.391373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.391373 (E_RNA)
where:
Base-Base interactions energy: -1665.704
where: short stacking energy: -655.707
Base-Backbone interact. energy: -0.453
local terms energy: -702.234415
where:
bonds (distance) C4'-P energy: -133.789
bonds (distance) P-C4' energy: -132.545
flat angles C4'-P-C4' energy: -146.644
flat angles P-C4'-P energy: -111.323
tors. eta vs tors. theta energy: -177.933
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: 293
Temperature: 0.950000
Total energy: -2209.713257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.713257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.713257 (E_RNA)
where:
Base-Base interactions energy: -1535.877
where: short stacking energy: -609.888
Base-Backbone interact. energy: -4.207
local terms energy: -669.629789
where:
bonds (distance) C4'-P energy: -134.272
bonds (distance) P-C4' energy: -133.473
flat angles C4'-P-C4' energy: -135.646
flat angles P-C4'-P energy: -102.665
tors. eta vs tors. theta energy: -163.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2215.544604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.544604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.544604 (E_RNA)
where:
Base-Base interactions energy: -1540.063
where: short stacking energy: -625.745
Base-Backbone interact. energy: -3.953
local terms energy: -671.528678
where:
bonds (distance) C4'-P energy: -121.690
bonds (distance) P-C4' energy: -126.165
flat angles C4'-P-C4' energy: -150.885
flat angles P-C4'-P energy: -96.751
tors. eta vs tors. theta energy: -176.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2032.926379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.926379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.926379 (E_RNA)
where:
Base-Base interactions energy: -1368.631
where: short stacking energy: -570.376
Base-Backbone interact. energy: 0.659
local terms energy: -664.954789
where:
bonds (distance) C4'-P energy: -136.198
bonds (distance) P-C4' energy: -130.235
flat angles C4'-P-C4' energy: -142.856
flat angles P-C4'-P energy: -84.894
tors. eta vs tors. theta energy: -170.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2015.701707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.701707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.701707 (E_RNA)
where:
Base-Base interactions energy: -1363.825
where: short stacking energy: -608.529
Base-Backbone interact. energy: -1.342
local terms energy: -650.534211
where:
bonds (distance) C4'-P energy: -129.788
bonds (distance) P-C4' energy: -115.600
flat angles C4'-P-C4' energy: -126.672
flat angles P-C4'-P energy: -86.604
tors. eta vs tors. theta energy: -191.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1727.156371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.156371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.156371 (E_RNA)
where:
Base-Base interactions energy: -1130.568
where: short stacking energy: -494.763
Base-Backbone interact. energy: -0.787
local terms energy: -595.801542
where:
bonds (distance) C4'-P energy: -134.060
bonds (distance) P-C4' energy: -118.147
flat angles C4'-P-C4' energy: -137.475
flat angles P-C4'-P energy: -76.974
tors. eta vs tors. theta energy: -129.145
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: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1576.244477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.244477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.244477 (E_RNA)
where:
Base-Base interactions energy: -1066.255
where: short stacking energy: -460.438
Base-Backbone interact. energy: 1.564
local terms energy: -511.553529
where:
bonds (distance) C4'-P energy: -108.708
bonds (distance) P-C4' energy: -105.922
flat angles C4'-P-C4' energy: -112.901
flat angles P-C4'-P energy: -75.407
tors. eta vs tors. theta energy: -108.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1323.383884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.383884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.383884 (E_RNA)
where:
Base-Base interactions energy: -849.198
where: short stacking energy: -387.041
Base-Backbone interact. energy: -2.767
local terms energy: -471.418849
where:
bonds (distance) C4'-P energy: -113.497
bonds (distance) P-C4' energy: -102.751
flat angles C4'-P-C4' energy: -116.407
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -72.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -956.564356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.564356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.564356 (E_RNA)
where:
Base-Base interactions energy: -535.996
where: short stacking energy: -252.590
Base-Backbone interact. energy: 1.272
local terms energy: -421.840421
where:
bonds (distance) C4'-P energy: -116.838
bonds (distance) P-C4' energy: -108.913
flat angles C4'-P-C4' energy: -104.985
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: -31.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -787.602759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.602759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.602759 (E_RNA)
where:
Base-Base interactions energy: -422.770
where: short stacking energy: -234.075
Base-Backbone interact. energy: 0.010
local terms energy: -364.843290
where:
bonds (distance) C4'-P energy: -112.998
bonds (distance) P-C4' energy: -101.987
flat angles C4'-P-C4' energy: -86.857
flat angles P-C4'-P energy: -63.038
tors. eta vs tors. theta energy: 0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2336.910603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.910603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.910603 (E_RNA)
where:
Base-Base interactions energy: -1643.204
where: short stacking energy: -653.098
Base-Backbone interact. energy: -3.072
local terms energy: -690.635250
where:
bonds (distance) C4'-P energy: -127.802
bonds (distance) P-C4' energy: -132.714
flat angles C4'-P-C4' energy: -153.723
flat angles P-C4'-P energy: -92.791
tors. eta vs tors. theta energy: -183.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2238.313488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.313488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.313488 (E_RNA)
where:
Base-Base interactions energy: -1546.780
where: short stacking energy: -610.974
Base-Backbone interact. energy: -1.593
local terms energy: -689.940258
where:
bonds (distance) C4'-P energy: -135.301
bonds (distance) P-C4' energy: -122.613
flat angles C4'-P-C4' energy: -135.275
flat angles P-C4'-P energy: -111.961
tors. eta vs tors. theta energy: -184.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2197.047630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.047630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.047630 (E_RNA)
where:
Base-Base interactions energy: -1534.735
where: short stacking energy: -611.698
Base-Backbone interact. energy: -3.201
local terms energy: -659.111924
where:
bonds (distance) C4'-P energy: -129.623
bonds (distance) P-C4' energy: -119.351
flat angles C4'-P-C4' energy: -141.230
flat angles P-C4'-P energy: -94.255
tors. eta vs tors. theta energy: -174.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2011.983377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.983377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.983377 (E_RNA)
where:
Base-Base interactions energy: -1383.325
where: short stacking energy: -584.643
Base-Backbone interact. energy: -2.205
local terms energy: -626.452867
where:
bonds (distance) C4'-P energy: -122.269
bonds (distance) P-C4' energy: -121.304
flat angles C4'-P-C4' energy: -126.389
flat angles P-C4'-P energy: -92.472
tors. eta vs tors. theta energy: -164.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2013.781693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.781693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.781693 (E_RNA)
where:
Base-Base interactions energy: -1374.398
where: short stacking energy: -567.968
Base-Backbone interact. energy: -3.046
local terms energy: -636.337532
where:
bonds (distance) C4'-P energy: -117.188
bonds (distance) P-C4' energy: -137.035
flat angles C4'-P-C4' energy: -133.462
flat angles P-C4'-P energy: -82.759
tors. eta vs tors. theta energy: -165.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1737.268613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.268613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.268613 (E_RNA)
where:
Base-Base interactions energy: -1165.684
where: short stacking energy: -514.915
Base-Backbone interact. energy: 0.427
local terms energy: -572.012154
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -126.975
flat angles P-C4'-P energy: -77.290
tors. eta vs tors. theta energy: -134.321
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: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1573.846994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.846994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.846994 (E_RNA)
where:
Base-Base interactions energy: -1080.899
where: short stacking energy: -476.813
Base-Backbone interact. energy: -5.499
local terms energy: -487.448804
where:
bonds (distance) C4'-P energy: -87.214
bonds (distance) P-C4' energy: -119.943
flat angles C4'-P-C4' energy: -111.378
flat angles P-C4'-P energy: -69.753
tors. eta vs tors. theta energy: -99.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1262.307704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.307704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.307704 (E_RNA)
where:
Base-Base interactions energy: -799.698
where: short stacking energy: -379.541
Base-Backbone interact. energy: -1.783
local terms energy: -460.825999
where:
bonds (distance) C4'-P energy: -108.513
bonds (distance) P-C4' energy: -109.262
flat angles C4'-P-C4' energy: -113.043
flat angles P-C4'-P energy: -58.749
tors. eta vs tors. theta energy: -71.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -842.226652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.226652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.226652 (E_RNA)
where:
Base-Base interactions energy: -467.765
where: short stacking energy: -245.175
Base-Backbone interact. energy: -3.049
local terms energy: -371.412259
where:
bonds (distance) C4'-P energy: -125.526
bonds (distance) P-C4' energy: -107.049
flat angles C4'-P-C4' energy: -73.709
flat angles P-C4'-P energy: -66.760
tors. eta vs tors. theta energy: 1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -754.299303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.299303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.299303 (E_RNA)
where:
Base-Base interactions energy: -417.117
where: short stacking energy: -222.166
Base-Backbone interact. energy: 0.761
local terms energy: -337.943975
where:
bonds (distance) C4'-P energy: -118.552
bonds (distance) P-C4' energy: -81.895
flat angles C4'-P-C4' energy: -103.298
flat angles P-C4'-P energy: -48.901
tors. eta vs tors. theta energy: 14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2354.240057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.240057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.240057 (E_RNA)
where:
Base-Base interactions energy: -1662.268
where: short stacking energy: -668.510
Base-Backbone interact. energy: -1.803
local terms energy: -690.169377
where:
bonds (distance) C4'-P energy: -130.098
bonds (distance) P-C4' energy: -125.442
flat angles C4'-P-C4' energy: -151.987
flat angles P-C4'-P energy: -109.283
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: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2247.315218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.315218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.315218 (E_RNA)
where:
Base-Base interactions energy: -1570.814
where: short stacking energy: -632.115
Base-Backbone interact. energy: -2.514
local terms energy: -673.987574
where:
bonds (distance) C4'-P energy: -112.452
bonds (distance) P-C4' energy: -126.465
flat angles C4'-P-C4' energy: -150.851
flat angles P-C4'-P energy: -105.186
tors. eta vs tors. theta energy: -179.035
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: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2206.981049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.981049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.981049 (E_RNA)
where:
Base-Base interactions energy: -1553.203
where: short stacking energy: -611.086
Base-Backbone interact. energy: -1.523
local terms energy: -652.254705
where:
bonds (distance) C4'-P energy: -129.902
bonds (distance) P-C4' energy: -129.893
flat angles C4'-P-C4' energy: -143.002
flat angles P-C4'-P energy: -88.713
tors. eta vs tors. theta energy: -160.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2030.644542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.644542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.644542 (E_RNA)
where:
Base-Base interactions energy: -1391.982
where: short stacking energy: -578.013
Base-Backbone interact. energy: -2.750
local terms energy: -635.912734
where:
bonds (distance) C4'-P energy: -117.464
bonds (distance) P-C4' energy: -141.987
flat angles C4'-P-C4' energy: -125.717
flat angles P-C4'-P energy: -88.535
tors. eta vs tors. theta energy: -162.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1922.085729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.085729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.085729 (E_RNA)
where:
Base-Base interactions energy: -1326.988
where: short stacking energy: -543.813
Base-Backbone interact. energy: -1.320
local terms energy: -593.777161
where:
bonds (distance) C4'-P energy: -108.760
bonds (distance) P-C4' energy: -114.808
flat angles C4'-P-C4' energy: -126.072
flat angles P-C4'-P energy: -74.239
tors. eta vs tors. theta energy: -169.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1726.199062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.199062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.199062 (E_RNA)
where:
Base-Base interactions energy: -1155.722
where: short stacking energy: -512.832
Base-Backbone interact. energy: -1.581
local terms energy: -568.895738
where:
bonds (distance) C4'-P energy: -121.974
bonds (distance) P-C4' energy: -120.651
flat angles C4'-P-C4' energy: -115.295
flat angles P-C4'-P energy: -79.506
tors. eta vs tors. theta energy: -131.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1581.558505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.558505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.558505 (E_RNA)
where:
Base-Base interactions energy: -1058.038
where: short stacking energy: -434.449
Base-Backbone interact. energy: 7.786
local terms energy: -531.305928
where:
bonds (distance) C4'-P energy: -103.854
bonds (distance) P-C4' energy: -118.336
flat angles C4'-P-C4' energy: -125.273
flat angles P-C4'-P energy: -73.209
tors. eta vs tors. theta energy: -110.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1241.889810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.889810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.889810 (E_RNA)
where:
Base-Base interactions energy: -786.680
where: short stacking energy: -392.485
Base-Backbone interact. energy: -2.153
local terms energy: -453.057125
where:
bonds (distance) C4'-P energy: -87.282
bonds (distance) P-C4' energy: -124.457
flat angles C4'-P-C4' energy: -111.091
flat angles P-C4'-P energy: -60.550
tors. eta vs tors. theta energy: -69.677
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: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -872.103830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.103830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.103830 (E_RNA)
where:
Base-Base interactions energy: -478.745
where: short stacking energy: -239.764
Base-Backbone interact. energy: -1.604
local terms energy: -391.755547
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -112.584
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -34.972
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: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -767.858127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.858127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.858127 (E_RNA)
where:
Base-Base interactions energy: -404.744
where: short stacking energy: -216.193
Base-Backbone interact. energy: -2.064
local terms energy: -361.050984
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -109.801
flat angles C4'-P-C4' energy: -81.434
flat angles P-C4'-P energy: -63.540
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2383.673080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.673080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.673080 (E_RNA)
where:
Base-Base interactions energy: -1687.115
where: short stacking energy: -668.164
Base-Backbone interact. energy: -1.055
local terms energy: -695.502798
where:
bonds (distance) C4'-P energy: -133.109
bonds (distance) P-C4' energy: -139.804
flat angles C4'-P-C4' energy: -143.214
flat angles P-C4'-P energy: -104.830
tors. eta vs tors. theta energy: -174.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2234.062948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.062948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.062948 (E_RNA)
where:
Base-Base interactions energy: -1565.594
where: short stacking energy: -639.628
Base-Backbone interact. energy: -1.881
local terms energy: -666.587408
where:
bonds (distance) C4'-P energy: -111.970
bonds (distance) P-C4' energy: -134.077
flat angles C4'-P-C4' energy: -147.787
flat angles P-C4'-P energy: -96.285
tors. eta vs tors. theta energy: -176.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2219.117536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.117536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.117536 (E_RNA)
where:
Base-Base interactions energy: -1578.040
where: short stacking energy: -643.464
Base-Backbone interact. energy: 0.355
local terms energy: -641.432401
where:
bonds (distance) C4'-P energy: -107.809
bonds (distance) P-C4' energy: -123.696
flat angles C4'-P-C4' energy: -148.440
flat angles P-C4'-P energy: -91.948
tors. eta vs tors. theta energy: -169.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2049.410835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.410835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.410835 (E_RNA)
where:
Base-Base interactions energy: -1408.697
where: short stacking energy: -586.362
Base-Backbone interact. energy: -2.753
local terms energy: -637.960753
where:
bonds (distance) C4'-P energy: -123.657
bonds (distance) P-C4' energy: -131.569
flat angles C4'-P-C4' energy: -132.799
flat angles P-C4'-P energy: -92.701
tors. eta vs tors. theta energy: -157.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1932.043442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.043442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.043442 (E_RNA)
where:
Base-Base interactions energy: -1324.322
where: short stacking energy: -574.082
Base-Backbone interact. energy: -2.433
local terms energy: -605.287827
where:
bonds (distance) C4'-P energy: -115.249
bonds (distance) P-C4' energy: -126.686
flat angles C4'-P-C4' energy: -137.135
flat angles P-C4'-P energy: -78.728
tors. eta vs tors. theta energy: -147.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1738.539509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.539509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.539509 (E_RNA)
where:
Base-Base interactions energy: -1174.967
where: short stacking energy: -500.342
Base-Backbone interact. energy: -0.665
local terms energy: -562.907210
where:
bonds (distance) C4'-P energy: -98.458
bonds (distance) P-C4' energy: -115.313
flat angles C4'-P-C4' energy: -124.676
flat angles P-C4'-P energy: -77.541
tors. eta vs tors. theta energy: -146.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1532.993854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.993854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.993854 (E_RNA)
where:
Base-Base interactions energy: -1005.716
where: short stacking energy: -449.588
Base-Backbone interact. energy: -1.690
local terms energy: -525.587538
where:
bonds (distance) C4'-P energy: -110.576
bonds (distance) P-C4' energy: -101.721
flat angles C4'-P-C4' energy: -133.864
flat angles P-C4'-P energy: -81.045
tors. eta vs tors. theta energy: -98.381
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: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1245.026345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.026345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.026345 (E_RNA)
where:
Base-Base interactions energy: -788.517
where: short stacking energy: -345.649
Base-Backbone interact. energy: -2.351
local terms energy: -454.158029
where:
bonds (distance) C4'-P energy: -104.065
bonds (distance) P-C4' energy: -104.474
flat angles C4'-P-C4' energy: -99.969
flat angles P-C4'-P energy: -78.241
tors. eta vs tors. theta energy: -67.409
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: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -782.846140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.846140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.846140 (E_RNA)
where:
Base-Base interactions energy: -354.177
where: short stacking energy: -197.077
Base-Backbone interact. energy: -0.149
local terms energy: -428.520258
where:
bonds (distance) C4'-P energy: -129.574
bonds (distance) P-C4' energy: -119.161
flat angles C4'-P-C4' energy: -95.220
flat angles P-C4'-P energy: -70.060
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -754.722220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.722220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.722220 (E_RNA)
where:
Base-Base interactions energy: -408.033
where: short stacking energy: -233.094
Base-Backbone interact. energy: 6.586
local terms energy: -353.275644
where:
bonds (distance) C4'-P energy: -97.847
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -97.212
flat angles P-C4'-P energy: -51.872
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2354.603179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.603179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.603179 (E_RNA)
where:
Base-Base interactions energy: -1645.618
where: short stacking energy: -690.898
Base-Backbone interact. energy: 2.811
local terms energy: -711.796811
where:
bonds (distance) C4'-P energy: -125.371
bonds (distance) P-C4' energy: -145.527
flat angles C4'-P-C4' energy: -141.936
flat angles P-C4'-P energy: -110.806
tors. eta vs tors. theta energy: -188.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2259.671632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.671632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.671632 (E_RNA)
where:
Base-Base interactions energy: -1582.131
where: short stacking energy: -641.501
Base-Backbone interact. energy: -4.263
local terms energy: -673.277441
where:
bonds (distance) C4'-P energy: -130.498
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -145.768
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -173.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2216.297629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.297629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.297629 (E_RNA)
where:
Base-Base interactions energy: -1558.539
where: short stacking energy: -632.025
Base-Backbone interact. energy: -2.859
local terms energy: -654.899442
where:
bonds (distance) C4'-P energy: -118.445
bonds (distance) P-C4' energy: -135.293
flat angles C4'-P-C4' energy: -140.288
flat angles P-C4'-P energy: -96.661
tors. eta vs tors. theta energy: -164.213
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: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2033.215337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.215337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.215337 (E_RNA)
where:
Base-Base interactions energy: -1413.919
where: short stacking energy: -615.265
Base-Backbone interact. energy: -3.517
local terms energy: -615.779147
where:
bonds (distance) C4'-P energy: -115.098
bonds (distance) P-C4' energy: -120.801
flat angles C4'-P-C4' energy: -134.574
flat angles P-C4'-P energy: -90.467
tors. eta vs tors. theta energy: -154.838
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: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1922.366543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.366543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.366543 (E_RNA)
where:
Base-Base interactions energy: -1300.466
where: short stacking energy: -560.750
Base-Backbone interact. energy: -0.478
local terms energy: -621.421690
where:
bonds (distance) C4'-P energy: -125.955
bonds (distance) P-C4' energy: -132.166
flat angles C4'-P-C4' energy: -133.867
flat angles P-C4'-P energy: -75.621
tors. eta vs tors. theta energy: -153.813
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: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1734.009923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.009923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.009923 (E_RNA)
where:
Base-Base interactions energy: -1191.884
where: short stacking energy: -509.354
Base-Backbone interact. energy: -1.960
local terms energy: -540.164965
where:
bonds (distance) C4'-P energy: -126.523
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -109.641
flat angles P-C4'-P energy: -82.533
tors. eta vs tors. theta energy: -126.399
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1508.816790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.816790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.816790 (E_RNA)
where:
Base-Base interactions energy: -1013.802
where: short stacking energy: -431.816
Base-Backbone interact. energy: -2.803
local terms energy: -492.211385
where:
bonds (distance) C4'-P energy: -95.090
bonds (distance) P-C4' energy: -120.287
flat angles C4'-P-C4' energy: -121.383
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -98.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1253.102537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.102537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.102537 (E_RNA)
where:
Base-Base interactions energy: -811.882
where: short stacking energy: -374.327
Base-Backbone interact. energy: 1.643
local terms energy: -442.863488
where:
bonds (distance) C4'-P energy: -110.189
bonds (distance) P-C4' energy: -118.722
flat angles C4'-P-C4' energy: -107.479
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: -61.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -779.366258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.366258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.366258 (E_RNA)
where:
Base-Base interactions energy: -447.540
where: short stacking energy: -259.455
Base-Backbone interact. energy: -0.223
local terms energy: -331.602861
where:
bonds (distance) C4'-P energy: -92.247
bonds (distance) P-C4' energy: -112.277
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -46.999
tors. eta vs tors. theta energy: 7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -723.697986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.697986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.697986 (E_RNA)
where:
Base-Base interactions energy: -339.834
where: short stacking energy: -194.240
Base-Backbone interact. energy: -1.906
local terms energy: -381.958201
where:
bonds (distance) C4'-P energy: -101.406
bonds (distance) P-C4' energy: -109.636
flat angles C4'-P-C4' energy: -91.500
flat angles P-C4'-P energy: -59.746
tors. eta vs tors. theta energy: -19.671
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: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2346.260062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.260062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.260062 (E_RNA)
where:
Base-Base interactions energy: -1670.868
where: short stacking energy: -666.712
Base-Backbone interact. energy: -2.438
local terms energy: -672.954298
where:
bonds (distance) C4'-P energy: -131.227
bonds (distance) P-C4' energy: -129.361
flat angles C4'-P-C4' energy: -152.048
flat angles P-C4'-P energy: -89.556
tors. eta vs tors. theta energy: -170.762
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2290.449572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.449572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.449572 (E_RNA)
where:
Base-Base interactions energy: -1612.910
where: short stacking energy: -675.330
Base-Backbone interact. energy: 1.626
local terms energy: -679.165903
where:
bonds (distance) C4'-P energy: -128.274
bonds (distance) P-C4' energy: -132.004
flat angles C4'-P-C4' energy: -141.857
flat angles P-C4'-P energy: -99.987
tors. eta vs tors. theta energy: -177.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2220.213081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.213081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.213081 (E_RNA)
where:
Base-Base interactions energy: -1549.982
where: short stacking energy: -615.941
Base-Backbone interact. energy: -5.109
local terms energy: -665.122000
where:
bonds (distance) C4'-P energy: -120.285
bonds (distance) P-C4' energy: -135.000
flat angles C4'-P-C4' energy: -153.033
flat angles P-C4'-P energy: -96.038
tors. eta vs tors. theta energy: -160.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2033.953163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.953163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.953163 (E_RNA)
where:
Base-Base interactions energy: -1377.605
where: short stacking energy: -585.590
Base-Backbone interact. energy: -0.408
local terms energy: -655.940472
where:
bonds (distance) C4'-P energy: -141.332
bonds (distance) P-C4' energy: -117.298
flat angles C4'-P-C4' energy: -143.917
flat angles P-C4'-P energy: -90.265
tors. eta vs tors. theta energy: -163.129
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: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1987.350915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.350915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.350915 (E_RNA)
where:
Base-Base interactions energy: -1371.985
where: short stacking energy: -576.083
Base-Backbone interact. energy: -1.779
local terms energy: -613.587068
where:
bonds (distance) C4'-P energy: -121.624
bonds (distance) P-C4' energy: -125.468
flat angles C4'-P-C4' energy: -132.459
flat angles P-C4'-P energy: -80.858
tors. eta vs tors. theta energy: -153.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1800.754613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.754613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.754613 (E_RNA)
where:
Base-Base interactions energy: -1241.453
where: short stacking energy: -490.196
Base-Backbone interact. energy: -2.188
local terms energy: -557.113676
where:
bonds (distance) C4'-P energy: -106.873
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -121.040
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: -134.013
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: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1485.449521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.449521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.449521 (E_RNA)
where:
Base-Base interactions energy: -950.109
where: short stacking energy: -410.262
Base-Backbone interact. energy: -2.418
local terms energy: -532.922018
where:
bonds (distance) C4'-P energy: -104.041
bonds (distance) P-C4' energy: -118.101
flat angles C4'-P-C4' energy: -130.020
flat angles P-C4'-P energy: -79.899
tors. eta vs tors. theta energy: -100.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1351.200325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.200325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.200325 (E_RNA)
where:
Base-Base interactions energy: -884.897
where: short stacking energy: -382.645
Base-Backbone interact. energy: -3.823
local terms energy: -462.480752
where:
bonds (distance) C4'-P energy: -96.589
bonds (distance) P-C4' energy: -105.667
flat angles C4'-P-C4' energy: -124.459
flat angles P-C4'-P energy: -58.534
tors. eta vs tors. theta energy: -77.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -775.069803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.069803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.069803 (E_RNA)
where:
Base-Base interactions energy: -399.711
where: short stacking energy: -223.108
Base-Backbone interact. energy: 1.261
local terms energy: -376.619654
where:
bonds (distance) C4'-P energy: -97.660
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -106.507
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -726.374885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.374885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.374885 (E_RNA)
where:
Base-Base interactions energy: -346.416
where: short stacking energy: -211.405
Base-Backbone interact. energy: -3.950
local terms energy: -376.009596
where:
bonds (distance) C4'-P energy: -101.237
bonds (distance) P-C4' energy: -114.181
flat angles C4'-P-C4' energy: -99.415
flat angles P-C4'-P energy: -54.246
tors. eta vs tors. theta energy: -6.931
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: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2325.419326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.419326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.419326 (E_RNA)
where:
Base-Base interactions energy: -1623.386
where: short stacking energy: -636.414
Base-Backbone interact. energy: -3.924
local terms energy: -698.109046
where:
bonds (distance) C4'-P energy: -132.406
bonds (distance) P-C4' energy: -133.068
flat angles C4'-P-C4' energy: -149.979
flat angles P-C4'-P energy: -99.344
tors. eta vs tors. theta energy: -183.312
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: 299
Temperature: 0.950000
Total energy: -2273.155015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.155015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.155015 (E_RNA)
where:
Base-Base interactions energy: -1612.906
where: short stacking energy: -641.511
Base-Backbone interact. energy: -0.453
local terms energy: -659.795134
where:
bonds (distance) C4'-P energy: -129.627
bonds (distance) P-C4' energy: -134.923
flat angles C4'-P-C4' energy: -144.934
flat angles P-C4'-P energy: -78.962
tors. eta vs tors. theta energy: -171.350
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2242.305548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.305548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.305548 (E_RNA)
where:
Base-Base interactions energy: -1581.222
where: short stacking energy: -644.619
Base-Backbone interact. energy: -3.141
local terms energy: -657.942059
where:
bonds (distance) C4'-P energy: -122.135
bonds (distance) P-C4' energy: -129.845
flat angles C4'-P-C4' energy: -148.236
flat angles P-C4'-P energy: -79.839
tors. eta vs tors. theta energy: -177.888
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: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2050.312147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.312147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.312147 (E_RNA)
where:
Base-Base interactions energy: -1408.853
where: short stacking energy: -620.276
Base-Backbone interact. energy: -0.928
local terms energy: -640.531210
where:
bonds (distance) C4'-P energy: -117.693
bonds (distance) P-C4' energy: -111.864
flat angles C4'-P-C4' energy: -143.076
flat angles P-C4'-P energy: -91.818
tors. eta vs tors. theta energy: -176.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1944.627949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.627949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.627949 (E_RNA)
where:
Base-Base interactions energy: -1318.087
where: short stacking energy: -597.900
Base-Backbone interact. energy: 0.703
local terms energy: -627.243706
where:
bonds (distance) C4'-P energy: -117.266
bonds (distance) P-C4' energy: -112.635
flat angles C4'-P-C4' energy: -140.754
flat angles P-C4'-P energy: -76.767
tors. eta vs tors. theta energy: -179.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1784.633869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.633869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.633869 (E_RNA)
where:
Base-Base interactions energy: -1207.483
where: short stacking energy: -503.197
Base-Backbone interact. energy: -2.670
local terms energy: -574.480686
where:
bonds (distance) C4'-P energy: -95.589
bonds (distance) P-C4' energy: -104.881
flat angles C4'-P-C4' energy: -134.693
flat angles P-C4'-P energy: -97.930
tors. eta vs tors. theta energy: -141.388
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: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1450.719686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.719686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.719686 (E_RNA)
where:
Base-Base interactions energy: -939.086
where: short stacking energy: -401.441
Base-Backbone interact. energy: 2.699
local terms energy: -514.332064
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -115.239
flat angles C4'-P-C4' energy: -114.107
flat angles P-C4'-P energy: -95.135
tors. eta vs tors. theta energy: -96.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1376.255023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.255023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.255023 (E_RNA)
where:
Base-Base interactions energy: -871.981
where: short stacking energy: -397.441
Base-Backbone interact. energy: 1.400
local terms energy: -505.673918
where:
bonds (distance) C4'-P energy: -115.739
bonds (distance) P-C4' energy: -115.795
flat angles C4'-P-C4' energy: -120.654
flat angles P-C4'-P energy: -60.393
tors. eta vs tors. theta energy: -93.093
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: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -700.342712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.342712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.342712 (E_RNA)
where:
Base-Base interactions energy: -354.282
where: short stacking energy: -223.534
Base-Backbone interact. energy: -1.250
local terms energy: -344.810705
where:
bonds (distance) C4'-P energy: -111.978
bonds (distance) P-C4' energy: -101.339
flat angles C4'-P-C4' energy: -98.772
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: 15.909
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: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -697.395143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.395143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.395143 (E_RNA)
where:
Base-Base interactions energy: -355.290
where: short stacking energy: -187.845
Base-Backbone interact. energy: -1.105
local terms energy: -341.000273
where:
bonds (distance) C4'-P energy: -93.819
bonds (distance) P-C4' energy: -104.268
flat angles C4'-P-C4' energy: -88.095
flat angles P-C4'-P energy: -70.995
tors. eta vs tors. theta energy: 16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2333.337685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.337685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.337685 (E_RNA)
where:
Base-Base interactions energy: -1642.644
where: short stacking energy: -677.407
Base-Backbone interact. energy: -2.625
local terms energy: -688.068684
where:
bonds (distance) C4'-P energy: -125.578
bonds (distance) P-C4' energy: -134.695
flat angles C4'-P-C4' energy: -141.423
flat angles P-C4'-P energy: -98.560
tors. eta vs tors. theta energy: -187.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2286.475278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.475278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.475278 (E_RNA)
where:
Base-Base interactions energy: -1615.987
where: short stacking energy: -651.778
Base-Backbone interact. energy: -1.803
local terms energy: -668.685192
where:
bonds (distance) C4'-P energy: -113.013
bonds (distance) P-C4' energy: -126.060
flat angles C4'-P-C4' energy: -148.921
flat angles P-C4'-P energy: -95.654
tors. eta vs tors. theta energy: -185.038
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: 300
Temperature: 1.000000
Total energy: -2195.352802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.352802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.352802 (E_RNA)
where:
Base-Base interactions energy: -1529.152
where: short stacking energy: -608.750
Base-Backbone interact. energy: -4.800
local terms energy: -661.400097
where:
bonds (distance) C4'-P energy: -123.273
bonds (distance) P-C4' energy: -115.162
flat angles C4'-P-C4' energy: -140.664
flat angles P-C4'-P energy: -105.063
tors. eta vs tors. theta energy: -177.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2038.915234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.915234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.915234 (E_RNA)
where:
Base-Base interactions energy: -1383.784
where: short stacking energy: -601.666
Base-Backbone interact. energy: 0.728
local terms energy: -655.858601
where:
bonds (distance) C4'-P energy: -126.158
bonds (distance) P-C4' energy: -137.754
flat angles C4'-P-C4' energy: -133.190
flat angles P-C4'-P energy: -78.042
tors. eta vs tors. theta energy: -180.715
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: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1959.922038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.922038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.922038 (E_RNA)
where:
Base-Base interactions energy: -1341.566
where: short stacking energy: -590.056
Base-Backbone interact. energy: -2.348
local terms energy: -616.007832
where:
bonds (distance) C4'-P energy: -120.583
bonds (distance) P-C4' energy: -113.846
flat angles C4'-P-C4' energy: -128.274
flat angles P-C4'-P energy: -80.739
tors. eta vs tors. theta energy: -172.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1733.610934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.610934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.610934 (E_RNA)
where:
Base-Base interactions energy: -1181.485
where: short stacking energy: -549.338
Base-Backbone interact. energy: -2.330
local terms energy: -549.795890
where:
bonds (distance) C4'-P energy: -98.058
bonds (distance) P-C4' energy: -105.260
flat angles C4'-P-C4' energy: -108.625
flat angles P-C4'-P energy: -88.243
tors. eta vs tors. theta energy: -149.610
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: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1482.458489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.458489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.458489 (E_RNA)
where:
Base-Base interactions energy: -949.872
where: short stacking energy: -433.302
Base-Backbone interact. energy: -0.441
local terms energy: -532.145374
where:
bonds (distance) C4'-P energy: -114.885
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -123.543
flat angles P-C4'-P energy: -81.640
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: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1353.138657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.138657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.138657 (E_RNA)
where:
Base-Base interactions energy: -877.748
where: short stacking energy: -398.083
Base-Backbone interact. energy: 3.308
local terms energy: -478.699047
where:
bonds (distance) C4'-P energy: -104.613
bonds (distance) P-C4' energy: -118.822
flat angles C4'-P-C4' energy: -99.349
flat angles P-C4'-P energy: -72.832
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: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -657.492263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.492263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.492263 (E_RNA)
where:
Base-Base interactions energy: -298.658
where: short stacking energy: -164.122
Base-Backbone interact. energy: 6.181
local terms energy: -365.015114
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -119.184
flat angles C4'-P-C4' energy: -90.813
flat angles P-C4'-P energy: -60.530
tors. eta vs tors. theta energy: 3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -711.084020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.084020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.084020 (E_RNA)
where:
Base-Base interactions energy: -361.794
where: short stacking energy: -219.314
Base-Backbone interact. energy: 10.062
local terms energy: -359.352379
where:
bonds (distance) C4'-P energy: -98.510
bonds (distance) P-C4' energy: -109.481
flat angles C4'-P-C4' energy: -101.386
flat angles P-C4'-P energy: -56.514
tors. eta vs tors. theta energy: 6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2336.197390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.197390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.197390 (E_RNA)
where:
Base-Base interactions energy: -1640.149
where: short stacking energy: -656.757
Base-Backbone interact. energy: -3.994
local terms energy: -692.053729
where:
bonds (distance) C4'-P energy: -124.423
bonds (distance) P-C4' energy: -140.073
flat angles C4'-P-C4' energy: -144.452
flat angles P-C4'-P energy: -104.094
tors. eta vs tors. theta energy: -179.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2306.220953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.220953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.220953 (E_RNA)
where:
Base-Base interactions energy: -1617.783
where: short stacking energy: -643.104
Base-Backbone interact. energy: 0.899
local terms energy: -689.336682
where:
bonds (distance) C4'-P energy: -127.954
bonds (distance) P-C4' energy: -134.585
flat angles C4'-P-C4' energy: -153.608
flat angles P-C4'-P energy: -87.852
tors. eta vs tors. theta energy: -185.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2205.744853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.744853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.744853 (E_RNA)
where:
Base-Base interactions energy: -1552.957
where: short stacking energy: -605.242
Base-Backbone interact. energy: -5.366
local terms energy: -647.421751
where:
bonds (distance) C4'-P energy: -116.183
bonds (distance) P-C4' energy: -119.542
flat angles C4'-P-C4' energy: -156.008
flat angles P-C4'-P energy: -86.153
tors. eta vs tors. theta energy: -169.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2035.636847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.636847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.636847 (E_RNA)
where:
Base-Base interactions energy: -1386.837
where: short stacking energy: -575.044
Base-Backbone interact. energy: 0.408
local terms energy: -649.208686
where:
bonds (distance) C4'-P energy: -122.058
bonds (distance) P-C4' energy: -144.291
flat angles C4'-P-C4' energy: -139.827
flat angles P-C4'-P energy: -74.715
tors. eta vs tors. theta energy: -168.318
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: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1917.748254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.748254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.748254 (E_RNA)
where:
Base-Base interactions energy: -1306.856
where: short stacking energy: -570.903
Base-Backbone interact. energy: -0.962
local terms energy: -609.929547
where:
bonds (distance) C4'-P energy: -101.736
bonds (distance) P-C4' energy: -110.528
flat angles C4'-P-C4' energy: -134.548
flat angles P-C4'-P energy: -89.542
tors. eta vs tors. theta energy: -173.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1792.864174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.864174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.864174 (E_RNA)
where:
Base-Base interactions energy: -1222.063
where: short stacking energy: -549.674
Base-Backbone interact. energy: -1.404
local terms energy: -569.397065
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -105.891
flat angles C4'-P-C4' energy: -139.862
flat angles P-C4'-P energy: -64.056
tors. eta vs tors. theta energy: -146.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1518.594757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.594757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.594757 (E_RNA)
where:
Base-Base interactions energy: -997.594
where: short stacking energy: -441.755
Base-Backbone interact. energy: 0.418
local terms energy: -521.418564
where:
bonds (distance) C4'-P energy: -104.624
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -116.790
flat angles P-C4'-P energy: -79.636
tors. eta vs tors. theta energy: -95.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1350.905761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.905761 (E_RNA)
where:
Base-Base interactions energy: -878.530
where: short stacking energy: -391.376
Base-Backbone interact. energy: -0.693
local terms energy: -471.683622
where:
bonds (distance) C4'-P energy: -112.757
bonds (distance) P-C4' energy: -103.880
flat angles C4'-P-C4' energy: -96.357
flat angles P-C4'-P energy: -72.532
tors. eta vs tors. theta energy: -86.157
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: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -676.848296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.848296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.848296 (E_RNA)
where:
Base-Base interactions energy: -324.520
where: short stacking energy: -198.841
Base-Backbone interact. energy: -1.396
local terms energy: -350.932356
where:
bonds (distance) C4'-P energy: -99.426
bonds (distance) P-C4' energy: -109.182
flat angles C4'-P-C4' energy: -102.566
flat angles P-C4'-P energy: -50.076
tors. eta vs tors. theta energy: 10.317
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: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -713.267424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.267424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.267424 (E_RNA)
where:
Base-Base interactions energy: -359.414
where: short stacking energy: -235.210
Base-Backbone interact. energy: -1.224
local terms energy: -352.629080
where:
bonds (distance) C4'-P energy: -99.060
bonds (distance) P-C4' energy: -97.212
flat angles C4'-P-C4' energy: -88.552
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: -10.315
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: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2336.674165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.674165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.674165 (E_RNA)
where:
Base-Base interactions energy: -1629.738
where: short stacking energy: -669.601
Base-Backbone interact. energy: -1.141
local terms energy: -705.795281
where:
bonds (distance) C4'-P energy: -135.710
bonds (distance) P-C4' energy: -139.437
flat angles C4'-P-C4' energy: -146.368
flat angles P-C4'-P energy: -106.448
tors. eta vs tors. theta energy: -177.832
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: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2291.759277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.759277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.759277 (E_RNA)
where:
Base-Base interactions energy: -1605.339
where: short stacking energy: -619.579
Base-Backbone interact. energy: -3.063
local terms energy: -683.357224
where:
bonds (distance) C4'-P energy: -129.599
bonds (distance) P-C4' energy: -130.671
flat angles C4'-P-C4' energy: -152.213
flat angles P-C4'-P energy: -88.119
tors. eta vs tors. theta energy: -182.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2228.065656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.065656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.065656 (E_RNA)
where:
Base-Base interactions energy: -1589.839
where: short stacking energy: -638.099
Base-Backbone interact. energy: -2.747
local terms energy: -635.479788
where:
bonds (distance) C4'-P energy: -113.366
bonds (distance) P-C4' energy: -125.014
flat angles C4'-P-C4' energy: -135.147
flat angles P-C4'-P energy: -84.044
tors. eta vs tors. theta energy: -177.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2035.988571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.988571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.988571 (E_RNA)
where:
Base-Base interactions energy: -1392.842
where: short stacking energy: -599.778
Base-Backbone interact. energy: -1.866
local terms energy: -641.280556
where:
bonds (distance) C4'-P energy: -111.179
bonds (distance) P-C4' energy: -111.574
flat angles C4'-P-C4' energy: -138.837
flat angles P-C4'-P energy: -103.603
tors. eta vs tors. theta energy: -176.088
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: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1964.469337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.469337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.469337 (E_RNA)
where:
Base-Base interactions energy: -1358.487
where: short stacking energy: -584.829
Base-Backbone interact. energy: -0.801
local terms energy: -605.181511
where:
bonds (distance) C4'-P energy: -103.881
bonds (distance) P-C4' energy: -126.017
flat angles C4'-P-C4' energy: -126.305
flat angles P-C4'-P energy: -83.563
tors. eta vs tors. theta energy: -165.415
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: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1826.341101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.341101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.341101 (E_RNA)
where:
Base-Base interactions energy: -1245.688
where: short stacking energy: -536.119
Base-Backbone interact. energy: 4.790
local terms energy: -585.443129
where:
bonds (distance) C4'-P energy: -116.395
bonds (distance) P-C4' energy: -108.379
flat angles C4'-P-C4' energy: -130.170
flat angles P-C4'-P energy: -70.799
tors. eta vs tors. theta energy: -159.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1566.486066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.486066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.486066 (E_RNA)
where:
Base-Base interactions energy: -1013.896
where: short stacking energy: -446.865
Base-Backbone interact. energy: -2.361
local terms energy: -550.229150
where:
bonds (distance) C4'-P energy: -99.005
bonds (distance) P-C4' energy: -121.408
flat angles C4'-P-C4' energy: -124.965
flat angles P-C4'-P energy: -81.919
tors. eta vs tors. theta energy: -122.931
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: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1339.941427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.941427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.941427 (E_RNA)
where:
Base-Base interactions energy: -848.474
where: short stacking energy: -387.669
Base-Backbone interact. energy: -1.190
local terms energy: -490.277623
where:
bonds (distance) C4'-P energy: -97.176
bonds (distance) P-C4' energy: -121.656
flat angles C4'-P-C4' energy: -113.984
flat angles P-C4'-P energy: -78.384
tors. eta vs tors. theta energy: -79.077
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: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -710.899083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.899083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.899083 (E_RNA)
where:
Base-Base interactions energy: -337.369
where: short stacking energy: -189.071
Base-Backbone interact. energy: 0.099
local terms energy: -373.628653
where:
bonds (distance) C4'-P energy: -111.771
bonds (distance) P-C4' energy: -105.395
flat angles C4'-P-C4' energy: -103.144
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: 7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -718.572994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.572994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.572994 (E_RNA)
where:
Base-Base interactions energy: -375.055
where: short stacking energy: -223.527
Base-Backbone interact. energy: 2.171
local terms energy: -345.688404
where:
bonds (distance) C4'-P energy: -104.870
bonds (distance) P-C4' energy: -89.239
flat angles C4'-P-C4' energy: -93.898
flat angles P-C4'-P energy: -44.808
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: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2362.545676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.545676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.545676 (E_RNA)
where:
Base-Base interactions energy: -1650.815
where: short stacking energy: -674.322
Base-Backbone interact. energy: -4.003
local terms energy: -707.727920
where:
bonds (distance) C4'-P energy: -134.020
bonds (distance) P-C4' energy: -137.709
flat angles C4'-P-C4' energy: -153.338
flat angles P-C4'-P energy: -99.506
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: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2257.044392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.044392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.044392 (E_RNA)
where:
Base-Base interactions energy: -1607.801
where: short stacking energy: -625.777
Base-Backbone interact. energy: -1.515
local terms energy: -647.727744
where:
bonds (distance) C4'-P energy: -112.060
bonds (distance) P-C4' energy: -129.886
flat angles C4'-P-C4' energy: -145.979
flat angles P-C4'-P energy: -83.361
tors. eta vs tors. theta energy: -176.441
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: 303
Temperature: 1.000000
Total energy: -2190.282588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.282588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.282588 (E_RNA)
where:
Base-Base interactions energy: -1544.141
where: short stacking energy: -603.256
Base-Backbone interact. energy: -2.755
local terms energy: -643.386792
where:
bonds (distance) C4'-P energy: -129.205
bonds (distance) P-C4' energy: -113.190
flat angles C4'-P-C4' energy: -146.623
flat angles P-C4'-P energy: -90.035
tors. eta vs tors. theta energy: -164.333
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: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2056.123583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.123583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.123583 (E_RNA)
where:
Base-Base interactions energy: -1399.774
where: short stacking energy: -595.993
Base-Backbone interact. energy: -2.084
local terms energy: -654.266380
where:
bonds (distance) C4'-P energy: -129.437
bonds (distance) P-C4' energy: -105.512
flat angles C4'-P-C4' energy: -140.111
flat angles P-C4'-P energy: -100.303
tors. eta vs tors. theta energy: -178.903
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1941.843466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.843466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.843466 (E_RNA)
where:
Base-Base interactions energy: -1290.316
where: short stacking energy: -567.095
Base-Backbone interact. energy: -4.799
local terms energy: -646.727644
where:
bonds (distance) C4'-P energy: -123.277
bonds (distance) P-C4' energy: -129.819
flat angles C4'-P-C4' energy: -140.351
flat angles P-C4'-P energy: -86.479
tors. eta vs tors. theta energy: -166.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1863.438951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.438951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.438951 (E_RNA)
where:
Base-Base interactions energy: -1247.320
where: short stacking energy: -561.624
Base-Backbone interact. energy: -0.226
local terms energy: -615.893720
where:
bonds (distance) C4'-P energy: -128.196
bonds (distance) P-C4' energy: -114.085
flat angles C4'-P-C4' energy: -131.041
flat angles P-C4'-P energy: -77.073
tors. eta vs tors. theta energy: -165.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1541.955034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.955034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.955034 (E_RNA)
where:
Base-Base interactions energy: -1017.713
where: short stacking energy: -448.739
Base-Backbone interact. energy: -2.455
local terms energy: -521.787422
where:
bonds (distance) C4'-P energy: -107.123
bonds (distance) P-C4' energy: -108.920
flat angles C4'-P-C4' energy: -123.598
flat angles P-C4'-P energy: -81.197
tors. eta vs tors. theta energy: -100.948
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: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1332.492641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.492641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.492641 (E_RNA)
where:
Base-Base interactions energy: -859.551
where: short stacking energy: -379.426
Base-Backbone interact. energy: -0.052
local terms energy: -472.889729
where:
bonds (distance) C4'-P energy: -82.806
bonds (distance) P-C4' energy: -121.823
flat angles C4'-P-C4' energy: -109.046
flat angles P-C4'-P energy: -64.913
tors. eta vs tors. theta energy: -94.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -746.573623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.573623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.573623 (E_RNA)
where:
Base-Base interactions energy: -329.213
where: short stacking energy: -197.260
Base-Backbone interact. energy: 5.126
local terms energy: -422.487069
where:
bonds (distance) C4'-P energy: -125.307
bonds (distance) P-C4' energy: -125.531
flat angles C4'-P-C4' energy: -107.468
flat angles P-C4'-P energy: -58.319
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -686.463777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.463777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.463777 (E_RNA)
where:
Base-Base interactions energy: -326.247
where: short stacking energy: -197.779
Base-Backbone interact. energy: -3.506
local terms energy: -356.710645
where:
bonds (distance) C4'-P energy: -101.656
bonds (distance) P-C4' energy: -107.149
flat angles C4'-P-C4' energy: -91.409
flat angles P-C4'-P energy: -56.840
tors. eta vs tors. theta energy: 0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2362.543729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.543729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.543729 (E_RNA)
where:
Base-Base interactions energy: -1659.689
where: short stacking energy: -677.725
Base-Backbone interact. energy: -4.067
local terms energy: -698.787834
where:
bonds (distance) C4'-P energy: -122.517
bonds (distance) P-C4' energy: -131.495
flat angles C4'-P-C4' energy: -164.442
flat angles P-C4'-P energy: -97.038
tors. eta vs tors. theta energy: -183.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2280.850005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.850005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.850005 (E_RNA)
where:
Base-Base interactions energy: -1587.795
where: short stacking energy: -664.952
Base-Backbone interact. energy: -0.189
local terms energy: -692.866551
where:
bonds (distance) C4'-P energy: -135.513
bonds (distance) P-C4' energy: -134.879
flat angles C4'-P-C4' energy: -158.177
flat angles P-C4'-P energy: -82.295
tors. eta vs tors. theta energy: -182.001
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: 304
Temperature: 1.000000
Total energy: -2199.263490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.263490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.263490 (E_RNA)
where:
Base-Base interactions energy: -1532.075
where: short stacking energy: -626.512
Base-Backbone interact. energy: -0.773
local terms energy: -666.415128
where:
bonds (distance) C4'-P energy: -121.082
bonds (distance) P-C4' energy: -127.009
flat angles C4'-P-C4' energy: -143.869
flat angles P-C4'-P energy: -102.042
tors. eta vs tors. theta energy: -172.413
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: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2063.344247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.344247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.344247 (E_RNA)
where:
Base-Base interactions energy: -1407.241
where: short stacking energy: -620.387
Base-Backbone interact. energy: 1.905
local terms energy: -658.007453
where:
bonds (distance) C4'-P energy: -100.458
bonds (distance) P-C4' energy: -136.993
flat angles C4'-P-C4' energy: -142.583
flat angles P-C4'-P energy: -92.091
tors. eta vs tors. theta energy: -185.883
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1958.423450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.423450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.423450 (E_RNA)
where:
Base-Base interactions energy: -1352.362
where: short stacking energy: -574.292
Base-Backbone interact. energy: -3.259
local terms energy: -602.802996
where:
bonds (distance) C4'-P energy: -121.562
bonds (distance) P-C4' energy: -113.583
flat angles C4'-P-C4' energy: -121.508
flat angles P-C4'-P energy: -83.840
tors. eta vs tors. theta energy: -162.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1845.758703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.758703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.758703 (E_RNA)
where:
Base-Base interactions energy: -1242.733
where: short stacking energy: -553.764
Base-Backbone interact. energy: -1.466
local terms energy: -601.559390
where:
bonds (distance) C4'-P energy: -121.878
bonds (distance) P-C4' energy: -109.363
flat angles C4'-P-C4' energy: -134.142
flat angles P-C4'-P energy: -78.164
tors. eta vs tors. theta energy: -158.012
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: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1490.138456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.138456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.138456 (E_RNA)
where:
Base-Base interactions energy: -970.295
where: short stacking energy: -420.539
Base-Backbone interact. energy: -1.113
local terms energy: -518.730283
where:
bonds (distance) C4'-P energy: -118.660
bonds (distance) P-C4' energy: -119.752
flat angles C4'-P-C4' energy: -119.632
flat angles P-C4'-P energy: -67.376
tors. eta vs tors. theta energy: -93.310
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: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1289.104710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.104710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.104710 (E_RNA)
where:
Base-Base interactions energy: -830.919
where: short stacking energy: -342.165
Base-Backbone interact. energy: 8.458
local terms energy: -466.643611
where:
bonds (distance) C4'-P energy: -101.764
bonds (distance) P-C4' energy: -116.827
flat angles C4'-P-C4' energy: -126.763
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -66.281
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: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -742.898177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.898177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.898177 (E_RNA)
where:
Base-Base interactions energy: -354.158
where: short stacking energy: -237.643
Base-Backbone interact. energy: -0.993
local terms energy: -387.747314
where:
bonds (distance) C4'-P energy: -98.355
bonds (distance) P-C4' energy: -123.668
flat angles C4'-P-C4' energy: -95.225
flat angles P-C4'-P energy: -57.925
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: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -669.153593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.153593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.153593 (E_RNA)
where:
Base-Base interactions energy: -312.688
where: short stacking energy: -160.963
Base-Backbone interact. energy: -0.651
local terms energy: -355.814348
where:
bonds (distance) C4'-P energy: -123.605
bonds (distance) P-C4' energy: -115.345
flat angles C4'-P-C4' energy: -95.897
flat angles P-C4'-P energy: -46.994
tors. eta vs tors. theta energy: 26.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2339.044803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.044803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.044803 (E_RNA)
where:
Base-Base interactions energy: -1653.277
where: short stacking energy: -695.743
Base-Backbone interact. energy: -2.722
local terms energy: -683.045577
where:
bonds (distance) C4'-P energy: -121.293
bonds (distance) P-C4' energy: -137.839
flat angles C4'-P-C4' energy: -143.503
flat angles P-C4'-P energy: -92.711
tors. eta vs tors. theta energy: -187.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2277.886851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.886851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.886851 (E_RNA)
where:
Base-Base interactions energy: -1567.623
where: short stacking energy: -662.706
Base-Backbone interact. energy: -2.876
local terms energy: -707.386943
where:
bonds (distance) C4'-P energy: -122.682
bonds (distance) P-C4' energy: -139.149
flat angles C4'-P-C4' energy: -153.816
flat angles P-C4'-P energy: -94.380
tors. eta vs tors. theta energy: -197.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2197.611662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.611662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.611662 (E_RNA)
where:
Base-Base interactions energy: -1535.734
where: short stacking energy: -629.681
Base-Backbone interact. energy: -1.164
local terms energy: -660.714072
where:
bonds (distance) C4'-P energy: -135.076
bonds (distance) P-C4' energy: -127.654
flat angles C4'-P-C4' energy: -126.840
flat angles P-C4'-P energy: -100.427
tors. eta vs tors. theta energy: -170.718
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: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2036.078431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.078431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.078431 (E_RNA)
where:
Base-Base interactions energy: -1367.831
where: short stacking energy: -615.642
Base-Backbone interact. energy: -0.617
local terms energy: -667.630295
where:
bonds (distance) C4'-P energy: -135.762
bonds (distance) P-C4' energy: -122.929
flat angles C4'-P-C4' energy: -139.557
flat angles P-C4'-P energy: -95.451
tors. eta vs tors. theta energy: -173.931
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1948.000630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.000630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.000630 (E_RNA)
where:
Base-Base interactions energy: -1362.475
where: short stacking energy: -582.343
Base-Backbone interact. energy: -4.702
local terms energy: -580.824042
where:
bonds (distance) C4'-P energy: -88.941
bonds (distance) P-C4' energy: -109.622
flat angles C4'-P-C4' energy: -131.539
flat angles P-C4'-P energy: -82.645
tors. eta vs tors. theta energy: -168.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1825.469513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.469513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.469513 (E_RNA)
where:
Base-Base interactions energy: -1241.926
where: short stacking energy: -526.753
Base-Backbone interact. energy: 2.382
local terms energy: -585.925564
where:
bonds (distance) C4'-P energy: -125.522
bonds (distance) P-C4' energy: -114.290
flat angles C4'-P-C4' energy: -119.299
flat angles P-C4'-P energy: -89.076
tors. eta vs tors. theta energy: -137.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1534.462824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.462824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.462824 (E_RNA)
where:
Base-Base interactions energy: -1008.224
where: short stacking energy: -445.398
Base-Backbone interact. energy: -0.687
local terms energy: -525.551748
where:
bonds (distance) C4'-P energy: -105.949
bonds (distance) P-C4' energy: -117.170
flat angles C4'-P-C4' energy: -119.622
flat angles P-C4'-P energy: -69.219
tors. eta vs tors. theta energy: -113.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1242.774599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.774599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.774599 (E_RNA)
where:
Base-Base interactions energy: -808.013
where: short stacking energy: -361.893
Base-Backbone interact. energy: -1.180
local terms energy: -433.580821
where:
bonds (distance) C4'-P energy: -87.169
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -67.778
tors. eta vs tors. theta energy: -65.176
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: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -691.172052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.172052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.172052 (E_RNA)
where:
Base-Base interactions energy: -347.462
where: short stacking energy: -187.967
Base-Backbone interact. energy: -2.867
local terms energy: -340.842451
where:
bonds (distance) C4'-P energy: -104.387
bonds (distance) P-C4' energy: -101.176
flat angles C4'-P-C4' energy: -92.981
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: 8.022
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: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -679.308477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.308477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.308477 (E_RNA)
where:
Base-Base interactions energy: -337.897
where: short stacking energy: -203.128
Base-Backbone interact. energy: 7.294
local terms energy: -348.705503
where:
bonds (distance) C4'-P energy: -88.617
bonds (distance) P-C4' energy: -107.654
flat angles C4'-P-C4' energy: -80.030
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2321.285230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.285230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.285230 (E_RNA)
where:
Base-Base interactions energy: -1638.227
where: short stacking energy: -667.223
Base-Backbone interact. energy: -2.265
local terms energy: -680.792321
where:
bonds (distance) C4'-P energy: -128.652
bonds (distance) P-C4' energy: -147.703
flat angles C4'-P-C4' energy: -138.951
flat angles P-C4'-P energy: -93.107
tors. eta vs tors. theta energy: -172.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2286.206635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.206635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.206635 (E_RNA)
where:
Base-Base interactions energy: -1597.314
where: short stacking energy: -653.280
Base-Backbone interact. energy: -0.131
local terms energy: -688.761187
where:
bonds (distance) C4'-P energy: -118.079
bonds (distance) P-C4' energy: -135.934
flat angles C4'-P-C4' energy: -143.459
flat angles P-C4'-P energy: -98.489
tors. eta vs tors. theta energy: -192.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2179.129825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.129825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.129825 (E_RNA)
where:
Base-Base interactions energy: -1517.463
where: short stacking energy: -617.132
Base-Backbone interact. energy: -3.789
local terms energy: -657.878062
where:
bonds (distance) C4'-P energy: -132.567
bonds (distance) P-C4' energy: -121.287
flat angles C4'-P-C4' energy: -148.155
flat angles P-C4'-P energy: -90.726
tors. eta vs tors. theta energy: -165.143
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: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2058.864452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.864452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.864452 (E_RNA)
where:
Base-Base interactions energy: -1399.289
where: short stacking energy: -627.226
Base-Backbone interact. energy: -4.004
local terms energy: -655.571481
where:
bonds (distance) C4'-P energy: -118.882
bonds (distance) P-C4' energy: -128.620
flat angles C4'-P-C4' energy: -126.468
flat angles P-C4'-P energy: -97.893
tors. eta vs tors. theta energy: -183.708
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1945.552559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.552559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.552559 (E_RNA)
where:
Base-Base interactions energy: -1341.683
where: short stacking energy: -564.911
Base-Backbone interact. energy: -2.174
local terms energy: -601.695909
where:
bonds (distance) C4'-P energy: -91.193
bonds (distance) P-C4' energy: -119.755
flat angles C4'-P-C4' energy: -126.230
flat angles P-C4'-P energy: -101.319
tors. eta vs tors. theta energy: -163.199
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: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1855.338692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.338692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.338692 (E_RNA)
where:
Base-Base interactions energy: -1253.497
where: short stacking energy: -555.341
Base-Backbone interact. energy: -1.901
local terms energy: -599.940601
where:
bonds (distance) C4'-P energy: -121.443
bonds (distance) P-C4' energy: -125.055
flat angles C4'-P-C4' energy: -127.429
flat angles P-C4'-P energy: -71.170
tors. eta vs tors. theta energy: -154.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1565.586623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.586623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.586623 (E_RNA)
where:
Base-Base interactions energy: -1039.781
where: short stacking energy: -447.043
Base-Backbone interact. energy: -1.675
local terms energy: -524.130480
where:
bonds (distance) C4'-P energy: -123.518
bonds (distance) P-C4' energy: -106.315
flat angles C4'-P-C4' energy: -122.607
flat angles P-C4'-P energy: -65.143
tors. eta vs tors. theta energy: -106.547
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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1280.971805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.971805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.971805 (E_RNA)
where:
Base-Base interactions energy: -817.496
where: short stacking energy: -383.481
Base-Backbone interact. energy: 0.046
local terms energy: -463.521440
where:
bonds (distance) C4'-P energy: -114.195
bonds (distance) P-C4' energy: -103.997
flat angles C4'-P-C4' energy: -93.749
flat angles P-C4'-P energy: -71.504
tors. eta vs tors. theta energy: -80.075
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: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -791.947084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.947084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.947084 (E_RNA)
where:
Base-Base interactions energy: -385.498
where: short stacking energy: -199.524
Base-Backbone interact. energy: -4.229
local terms energy: -402.219840
where:
bonds (distance) C4'-P energy: -126.271
bonds (distance) P-C4' energy: -123.496
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -49.721
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -686.310764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.310764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.310764 (E_RNA)
where:
Base-Base interactions energy: -311.217
where: short stacking energy: -203.800
Base-Backbone interact. energy: 7.329
local terms energy: -382.422437
where:
bonds (distance) C4'-P energy: -114.185
bonds (distance) P-C4' energy: -117.715
flat angles C4'-P-C4' energy: -87.281
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2333.854645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.854645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.854645 (E_RNA)
where:
Base-Base interactions energy: -1659.893
where: short stacking energy: -673.355
Base-Backbone interact. energy: -4.202
local terms energy: -669.759860
where:
bonds (distance) C4'-P energy: -125.090
bonds (distance) P-C4' energy: -120.819
flat angles C4'-P-C4' energy: -139.401
flat angles P-C4'-P energy: -102.247
tors. eta vs tors. theta energy: -182.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2294.939046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.939046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.939046 (E_RNA)
where:
Base-Base interactions energy: -1618.678
where: short stacking energy: -662.633
Base-Backbone interact. energy: -2.169
local terms energy: -674.091318
where:
bonds (distance) C4'-P energy: -113.188
bonds (distance) P-C4' energy: -126.303
flat angles C4'-P-C4' energy: -141.823
flat angles P-C4'-P energy: -104.739
tors. eta vs tors. theta energy: -188.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2170.818985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.818985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.818985 (E_RNA)
where:
Base-Base interactions energy: -1546.753
where: short stacking energy: -644.540
Base-Backbone interact. energy: -1.099
local terms energy: -622.967154
where:
bonds (distance) C4'-P energy: -93.385
bonds (distance) P-C4' energy: -113.880
flat angles C4'-P-C4' energy: -147.130
flat angles P-C4'-P energy: -91.828
tors. eta vs tors. theta energy: -176.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2062.778897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.778897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.778897 (E_RNA)
where:
Base-Base interactions energy: -1416.417
where: short stacking energy: -582.187
Base-Backbone interact. energy: -3.723
local terms energy: -642.638631
where:
bonds (distance) C4'-P energy: -122.150
bonds (distance) P-C4' energy: -124.070
flat angles C4'-P-C4' energy: -134.771
flat angles P-C4'-P energy: -83.196
tors. eta vs tors. theta energy: -178.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1955.291364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.291364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.291364 (E_RNA)
where:
Base-Base interactions energy: -1352.818
where: short stacking energy: -576.944
Base-Backbone interact. energy: -0.882
local terms energy: -601.592017
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -123.535
flat angles C4'-P-C4' energy: -116.850
flat angles P-C4'-P energy: -76.561
tors. eta vs tors. theta energy: -169.714
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: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1734.871654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.871654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.871654 (E_RNA)
where:
Base-Base interactions energy: -1135.625
where: short stacking energy: -511.294
Base-Backbone interact. energy: -3.755
local terms energy: -595.491025
where:
bonds (distance) C4'-P energy: -131.633
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -124.626
flat angles P-C4'-P energy: -76.978
tors. eta vs tors. theta energy: -133.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1547.360129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.360129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.360129 (E_RNA)
where:
Base-Base interactions energy: -999.161
where: short stacking energy: -446.127
Base-Backbone interact. energy: 0.569
local terms energy: -548.768817
where:
bonds (distance) C4'-P energy: -107.826
bonds (distance) P-C4' energy: -117.519
flat angles C4'-P-C4' energy: -138.251
flat angles P-C4'-P energy: -72.827
tors. eta vs tors. theta energy: -112.345
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: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1283.832469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.832469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.832469 (E_RNA)
where:
Base-Base interactions energy: -819.177
where: short stacking energy: -363.167
Base-Backbone interact. energy: 2.561
local terms energy: -467.216432
where:
bonds (distance) C4'-P energy: -114.507
bonds (distance) P-C4' energy: -115.582
flat angles C4'-P-C4' energy: -111.314
flat angles P-C4'-P energy: -54.812
tors. eta vs tors. theta energy: -71.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -756.649050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.649050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.649050 (E_RNA)
where:
Base-Base interactions energy: -396.344
where: short stacking energy: -216.535
Base-Backbone interact. energy: -3.565
local terms energy: -356.739841
where:
bonds (distance) C4'-P energy: -104.705
bonds (distance) P-C4' energy: -96.037
flat angles C4'-P-C4' energy: -105.924
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -676.212666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.212666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.212666 (E_RNA)
where:
Base-Base interactions energy: -331.176
where: short stacking energy: -169.398
Base-Backbone interact. energy: -1.469
local terms energy: -343.567453
where:
bonds (distance) C4'-P energy: -107.527
bonds (distance) P-C4' energy: -105.913
flat angles C4'-P-C4' energy: -95.607
flat angles P-C4'-P energy: -57.027
tors. eta vs tors. theta energy: 22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2348.379880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.379880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.379880 (E_RNA)
where:
Base-Base interactions energy: -1639.832
where: short stacking energy: -666.089
Base-Backbone interact. energy: -1.792
local terms energy: -706.755680
where:
bonds (distance) C4'-P energy: -124.038
bonds (distance) P-C4' energy: -137.921
flat angles C4'-P-C4' energy: -152.160
flat angles P-C4'-P energy: -112.542
tors. eta vs tors. theta energy: -180.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2289.291269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.291269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.291269 (E_RNA)
where:
Base-Base interactions energy: -1597.204
where: short stacking energy: -654.284
Base-Backbone interact. energy: -1.537
local terms energy: -690.549796
where:
bonds (distance) C4'-P energy: -128.687
bonds (distance) P-C4' energy: -130.101
flat angles C4'-P-C4' energy: -144.664
flat angles P-C4'-P energy: -96.460
tors. eta vs tors. theta energy: -190.637
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: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2207.353608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.353608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.353608 (E_RNA)
where:
Base-Base interactions energy: -1524.609
where: short stacking energy: -647.099
Base-Backbone interact. energy: -3.588
local terms energy: -679.156788
where:
bonds (distance) C4'-P energy: -116.880
bonds (distance) P-C4' energy: -127.128
flat angles C4'-P-C4' energy: -150.776
flat angles P-C4'-P energy: -95.643
tors. eta vs tors. theta energy: -188.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2056.546926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.546926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.546926 (E_RNA)
where:
Base-Base interactions energy: -1408.396
where: short stacking energy: -618.414
Base-Backbone interact. energy: -1.178
local terms energy: -646.973217
where:
bonds (distance) C4'-P energy: -104.335
bonds (distance) P-C4' energy: -127.138
flat angles C4'-P-C4' energy: -135.335
flat angles P-C4'-P energy: -94.717
tors. eta vs tors. theta energy: -185.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1976.492330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.492330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.492330 (E_RNA)
where:
Base-Base interactions energy: -1357.711
where: short stacking energy: -618.620
Base-Backbone interact. energy: 0.004
local terms energy: -618.785414
where:
bonds (distance) C4'-P energy: -121.686
bonds (distance) P-C4' energy: -105.018
flat angles C4'-P-C4' energy: -143.190
flat angles P-C4'-P energy: -83.525
tors. eta vs tors. theta energy: -165.366
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: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1726.519226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.519226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.519226 (E_RNA)
where:
Base-Base interactions energy: -1166.546
where: short stacking energy: -536.420
Base-Backbone interact. energy: -1.822
local terms energy: -558.150583
where:
bonds (distance) C4'-P energy: -112.677
bonds (distance) P-C4' energy: -92.157
flat angles C4'-P-C4' energy: -131.412
flat angles P-C4'-P energy: -79.200
tors. eta vs tors. theta energy: -142.705
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: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1556.991831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.991831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.991831 (E_RNA)
where:
Base-Base interactions energy: -1022.089
where: short stacking energy: -487.673
Base-Backbone interact. energy: -0.270
local terms energy: -534.632921
where:
bonds (distance) C4'-P energy: -97.747
bonds (distance) P-C4' energy: -112.187
flat angles C4'-P-C4' energy: -134.290
flat angles P-C4'-P energy: -65.897
tors. eta vs tors. theta energy: -124.511
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: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1399.689284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.689284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.689284 (E_RNA)
where:
Base-Base interactions energy: -915.881
where: short stacking energy: -405.202
Base-Backbone interact. energy: -1.666
local terms energy: -482.142112
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -115.187
flat angles C4'-P-C4' energy: -108.351
flat angles P-C4'-P energy: -64.621
tors. eta vs tors. theta energy: -100.003
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: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -788.890385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.890385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.890385 (E_RNA)
where:
Base-Base interactions energy: -429.157
where: short stacking energy: -238.394
Base-Backbone interact. energy: 5.722
local terms energy: -365.454645
where:
bonds (distance) C4'-P energy: -115.710
bonds (distance) P-C4' energy: -119.844
flat angles C4'-P-C4' energy: -64.875
flat angles P-C4'-P energy: -59.154
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -685.990050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.990050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.990050 (E_RNA)
where:
Base-Base interactions energy: -347.397
where: short stacking energy: -184.831
Base-Backbone interact. energy: 0.029
local terms energy: -338.622065
where:
bonds (distance) C4'-P energy: -107.304
bonds (distance) P-C4' energy: -116.053
flat angles C4'-P-C4' energy: -84.359
flat angles P-C4'-P energy: -54.103
tors. eta vs tors. theta energy: 23.199
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: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2344.907876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.907876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.907876 (E_RNA)
where:
Base-Base interactions energy: -1671.540
where: short stacking energy: -654.160
Base-Backbone interact. energy: -3.750
local terms energy: -669.617714
where:
bonds (distance) C4'-P energy: -131.940
bonds (distance) P-C4' energy: -113.912
flat angles C4'-P-C4' energy: -146.831
flat angles P-C4'-P energy: -104.872
tors. eta vs tors. theta energy: -172.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2263.288819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.288819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.288819 (E_RNA)
where:
Base-Base interactions energy: -1584.516
where: short stacking energy: -659.012
Base-Backbone interact. energy: 1.813
local terms energy: -680.585835
where:
bonds (distance) C4'-P energy: -114.482
bonds (distance) P-C4' energy: -134.327
flat angles C4'-P-C4' energy: -145.721
flat angles P-C4'-P energy: -96.278
tors. eta vs tors. theta energy: -189.778
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: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2178.171524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.171524 (E_RNA)
where:
Base-Base interactions energy: -1505.730
where: short stacking energy: -630.328
Base-Backbone interact. energy: -0.609
local terms energy: -671.832850
where:
bonds (distance) C4'-P energy: -124.492
bonds (distance) P-C4' energy: -120.742
flat angles C4'-P-C4' energy: -149.605
flat angles P-C4'-P energy: -91.283
tors. eta vs tors. theta energy: -185.710
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: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2036.486637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.486637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.486637 (E_RNA)
where:
Base-Base interactions energy: -1404.872
where: short stacking energy: -610.766
Base-Backbone interact. energy: 6.194
local terms energy: -637.808504
where:
bonds (distance) C4'-P energy: -114.902
bonds (distance) P-C4' energy: -127.029
flat angles C4'-P-C4' energy: -143.290
flat angles P-C4'-P energy: -76.510
tors. eta vs tors. theta energy: -176.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1975.645584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.645584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.645584 (E_RNA)
where:
Base-Base interactions energy: -1366.195
where: short stacking energy: -584.727
Base-Backbone interact. energy: -1.551
local terms energy: -607.898881
where:
bonds (distance) C4'-P energy: -100.146
bonds (distance) P-C4' energy: -121.208
flat angles C4'-P-C4' energy: -136.295
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -163.141
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: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1709.000739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.000739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.000739 (E_RNA)
where:
Base-Base interactions energy: -1150.554
where: short stacking energy: -490.947
Base-Backbone interact. energy: -1.006
local terms energy: -557.441444
where:
bonds (distance) C4'-P energy: -105.146
bonds (distance) P-C4' energy: -119.588
flat angles C4'-P-C4' energy: -131.708
flat angles P-C4'-P energy: -83.731
tors. eta vs tors. theta energy: -117.268
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: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1527.440663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.440663 (E_RNA)
where:
Base-Base interactions energy: -979.103
where: short stacking energy: -422.940
Base-Backbone interact. energy: 3.510
local terms energy: -551.847429
where:
bonds (distance) C4'-P energy: -123.659
bonds (distance) P-C4' energy: -108.207
flat angles C4'-P-C4' energy: -118.950
flat angles P-C4'-P energy: -85.713
tors. eta vs tors. theta energy: -115.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1357.290873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.290873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.290873 (E_RNA)
where:
Base-Base interactions energy: -893.973
where: short stacking energy: -394.683
Base-Backbone interact. energy: 0.685
local terms energy: -464.002795
where:
bonds (distance) C4'-P energy: -100.968
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -116.928
flat angles P-C4'-P energy: -54.679
tors. eta vs tors. theta energy: -76.304
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: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -826.788173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.788173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.788173 (E_RNA)
where:
Base-Base interactions energy: -427.790
where: short stacking energy: -249.516
Base-Backbone interact. energy: -3.138
local terms energy: -395.860950
where:
bonds (distance) C4'-P energy: -93.125
bonds (distance) P-C4' energy: -121.596
flat angles C4'-P-C4' energy: -87.086
flat angles P-C4'-P energy: -68.343
tors. eta vs tors. theta energy: -25.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -665.542705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.542705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.542705 (E_RNA)
where:
Base-Base interactions energy: -285.100
where: short stacking energy: -164.099
Base-Backbone interact. energy: -1.592
local terms energy: -378.850705
where:
bonds (distance) C4'-P energy: -101.807
bonds (distance) P-C4' energy: -115.003
flat angles C4'-P-C4' energy: -117.541
flat angles P-C4'-P energy: -54.017
tors. eta vs tors. theta energy: 9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2338.911219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.911219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.911219 (E_RNA)
where:
Base-Base interactions energy: -1647.985
where: short stacking energy: -645.306
Base-Backbone interact. energy: -4.667
local terms energy: -686.258544
where:
bonds (distance) C4'-P energy: -131.064
bonds (distance) P-C4' energy: -126.117
flat angles C4'-P-C4' energy: -145.343
flat angles P-C4'-P energy: -107.781
tors. eta vs tors. theta energy: -175.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2255.962347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.962347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.962347 (E_RNA)
where:
Base-Base interactions energy: -1569.065
where: short stacking energy: -646.317
Base-Backbone interact. energy: -4.076
local terms energy: -682.820970
where:
bonds (distance) C4'-P energy: -118.330
bonds (distance) P-C4' energy: -133.192
flat angles C4'-P-C4' energy: -145.783
flat angles P-C4'-P energy: -92.731
tors. eta vs tors. theta energy: -192.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2226.376532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.376532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.376532 (E_RNA)
where:
Base-Base interactions energy: -1544.125
where: short stacking energy: -657.924
Base-Backbone interact. energy: -2.038
local terms energy: -680.213610
where:
bonds (distance) C4'-P energy: -123.247
bonds (distance) P-C4' energy: -113.033
flat angles C4'-P-C4' energy: -149.466
flat angles P-C4'-P energy: -99.392
tors. eta vs tors. theta energy: -195.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2040.772036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.772036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.772036 (E_RNA)
where:
Base-Base interactions energy: -1377.602
where: short stacking energy: -588.550
Base-Backbone interact. energy: -1.153
local terms energy: -662.017605
where:
bonds (distance) C4'-P energy: -128.280
bonds (distance) P-C4' energy: -124.620
flat angles C4'-P-C4' energy: -132.805
flat angles P-C4'-P energy: -91.044
tors. eta vs tors. theta energy: -185.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1969.227961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.227961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.227961 (E_RNA)
where:
Base-Base interactions energy: -1357.257
where: short stacking energy: -579.066
Base-Backbone interact. energy: -1.423
local terms energy: -610.548516
where:
bonds (distance) C4'-P energy: -132.602
bonds (distance) P-C4' energy: -97.670
flat angles C4'-P-C4' energy: -143.333
flat angles P-C4'-P energy: -75.211
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: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1701.441008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.441008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.441008 (E_RNA)
where:
Base-Base interactions energy: -1098.944
where: short stacking energy: -493.795
Base-Backbone interact. energy: -1.364
local terms energy: -601.132685
where:
bonds (distance) C4'-P energy: -114.890
bonds (distance) P-C4' energy: -116.906
flat angles C4'-P-C4' energy: -141.572
flat angles P-C4'-P energy: -87.154
tors. eta vs tors. theta energy: -140.610
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: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1550.421196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.421196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.421196 (E_RNA)
where:
Base-Base interactions energy: -1008.665
where: short stacking energy: -472.165
Base-Backbone interact. energy: 3.837
local terms energy: -545.593894
where:
bonds (distance) C4'-P energy: -120.197
bonds (distance) P-C4' energy: -119.887
flat angles C4'-P-C4' energy: -112.715
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -131.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1391.030828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.030828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.030828 (E_RNA)
where:
Base-Base interactions energy: -908.684
where: short stacking energy: -422.940
Base-Backbone interact. energy: 1.560
local terms energy: -483.907147
where:
bonds (distance) C4'-P energy: -100.966
bonds (distance) P-C4' energy: -115.640
flat angles C4'-P-C4' energy: -106.494
flat angles P-C4'-P energy: -59.352
tors. eta vs tors. theta energy: -101.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -824.942870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.942870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.942870 (E_RNA)
where:
Base-Base interactions energy: -458.744
where: short stacking energy: -220.566
Base-Backbone interact. energy: -0.528
local terms energy: -365.671024
where:
bonds (distance) C4'-P energy: -94.823
bonds (distance) P-C4' energy: -105.599
flat angles C4'-P-C4' energy: -78.709
flat angles P-C4'-P energy: -65.516
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -658.944161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.944161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.944161 (E_RNA)
where:
Base-Base interactions energy: -320.028
where: short stacking energy: -195.824
Base-Backbone interact. energy: 1.190
local terms energy: -340.106108
where:
bonds (distance) C4'-P energy: -79.593
bonds (distance) P-C4' energy: -117.089
flat angles C4'-P-C4' energy: -98.671
flat angles P-C4'-P energy: -49.458
tors. eta vs tors. theta energy: 4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2334.701659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.701659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.701659 (E_RNA)
where:
Base-Base interactions energy: -1652.553
where: short stacking energy: -670.166
Base-Backbone interact. energy: -2.091
local terms energy: -680.057638
where:
bonds (distance) C4'-P energy: -130.219
bonds (distance) P-C4' energy: -136.676
flat angles C4'-P-C4' energy: -140.118
flat angles P-C4'-P energy: -96.386
tors. eta vs tors. theta energy: -176.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2262.531698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.531698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.531698 (E_RNA)
where:
Base-Base interactions energy: -1589.656
where: short stacking energy: -645.982
Base-Backbone interact. energy: -1.890
local terms energy: -670.985763
where:
bonds (distance) C4'-P energy: -120.641
bonds (distance) P-C4' energy: -130.362
flat angles C4'-P-C4' energy: -146.734
flat angles P-C4'-P energy: -90.001
tors. eta vs tors. theta energy: -183.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2185.905524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.905524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.905524 (E_RNA)
where:
Base-Base interactions energy: -1542.906
where: short stacking energy: -632.359
Base-Backbone interact. energy: -1.580
local terms energy: -641.419520
where:
bonds (distance) C4'-P energy: -129.742
bonds (distance) P-C4' energy: -103.399
flat angles C4'-P-C4' energy: -143.421
flat angles P-C4'-P energy: -86.571
tors. eta vs tors. theta energy: -178.287
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: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2004.097399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.097399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.097399 (E_RNA)
where:
Base-Base interactions energy: -1375.703
where: short stacking energy: -601.978
Base-Backbone interact. energy: -2.919
local terms energy: -625.475252
where:
bonds (distance) C4'-P energy: -126.470
bonds (distance) P-C4' energy: -125.244
flat angles C4'-P-C4' energy: -128.589
flat angles P-C4'-P energy: -74.428
tors. eta vs tors. theta energy: -170.745
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: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1968.136447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.136447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.136447 (E_RNA)
where:
Base-Base interactions energy: -1351.333
where: short stacking energy: -569.710
Base-Backbone interact. energy: -2.766
local terms energy: -614.037364
where:
bonds (distance) C4'-P energy: -117.233
bonds (distance) P-C4' energy: -114.873
flat angles C4'-P-C4' energy: -115.544
flat angles P-C4'-P energy: -92.923
tors. eta vs tors. theta energy: -173.465
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: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1740.687977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.687977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.687977 (E_RNA)
where:
Base-Base interactions energy: -1151.133
where: short stacking energy: -510.620
Base-Backbone interact. energy: -1.544
local terms energy: -588.011073
where:
bonds (distance) C4'-P energy: -128.794
bonds (distance) P-C4' energy: -127.192
flat angles C4'-P-C4' energy: -121.190
flat angles P-C4'-P energy: -81.172
tors. eta vs tors. theta energy: -129.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1539.600994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.600994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.600994 (E_RNA)
where:
Base-Base interactions energy: -999.690
where: short stacking energy: -451.886
Base-Backbone interact. energy: -2.911
local terms energy: -537.000471
where:
bonds (distance) C4'-P energy: -113.158
bonds (distance) P-C4' energy: -112.360
flat angles C4'-P-C4' energy: -113.615
flat angles P-C4'-P energy: -81.894
tors. eta vs tors. theta energy: -115.974
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: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1393.552683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.552683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.552683 (E_RNA)
where:
Base-Base interactions energy: -903.982
where: short stacking energy: -421.906
Base-Backbone interact. energy: -0.522
local terms energy: -489.048316
where:
bonds (distance) C4'-P energy: -115.413
bonds (distance) P-C4' energy: -107.196
flat angles C4'-P-C4' energy: -108.032
flat angles P-C4'-P energy: -66.120
tors. eta vs tors. theta energy: -92.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -808.344105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.344105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.344105 (E_RNA)
where:
Base-Base interactions energy: -394.860
where: short stacking energy: -227.914
Base-Backbone interact. energy: 0.960
local terms energy: -414.443531
where:
bonds (distance) C4'-P energy: -108.103
bonds (distance) P-C4' energy: -129.975
flat angles C4'-P-C4' energy: -95.171
flat angles P-C4'-P energy: -64.853
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -670.385609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.385609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.385609 (E_RNA)
where:
Base-Base interactions energy: -336.978
where: short stacking energy: -217.556
Base-Backbone interact. energy: 5.053
local terms energy: -338.460679
where:
bonds (distance) C4'-P energy: -102.159
bonds (distance) P-C4' energy: -98.697
flat angles C4'-P-C4' energy: -74.242
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2334.413287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.413287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.413287 (E_RNA)
where:
Base-Base interactions energy: -1647.443
where: short stacking energy: -638.220
Base-Backbone interact. energy: -2.454
local terms energy: -684.516595
where:
bonds (distance) C4'-P energy: -133.916
bonds (distance) P-C4' energy: -130.677
flat angles C4'-P-C4' energy: -146.942
flat angles P-C4'-P energy: -96.288
tors. eta vs tors. theta energy: -176.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2284.489208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.489208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.489208 (E_RNA)
where:
Base-Base interactions energy: -1585.405
where: short stacking energy: -671.726
Base-Backbone interact. energy: -1.557
local terms energy: -697.527166
where:
bonds (distance) C4'-P energy: -131.913
bonds (distance) P-C4' energy: -128.667
flat angles C4'-P-C4' energy: -142.470
flat angles P-C4'-P energy: -94.002
tors. eta vs tors. theta energy: -200.476
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: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2180.015233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.015233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.015233 (E_RNA)
where:
Base-Base interactions energy: -1517.768
where: short stacking energy: -638.015
Base-Backbone interact. energy: -0.158
local terms energy: -662.088857
where:
bonds (distance) C4'-P energy: -116.896
bonds (distance) P-C4' energy: -129.671
flat angles C4'-P-C4' energy: -141.516
flat angles P-C4'-P energy: -92.578
tors. eta vs tors. theta energy: -181.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2027.873958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.873958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.873958 (E_RNA)
where:
Base-Base interactions energy: -1385.366
where: short stacking energy: -608.830
Base-Backbone interact. energy: -2.653
local terms energy: -639.855350
where:
bonds (distance) C4'-P energy: -127.777
bonds (distance) P-C4' energy: -123.268
flat angles C4'-P-C4' energy: -136.124
flat angles P-C4'-P energy: -85.972
tors. eta vs tors. theta energy: -166.714
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: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1952.608050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.608050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.608050 (E_RNA)
where:
Base-Base interactions energy: -1343.718
where: short stacking energy: -615.638
Base-Backbone interact. energy: -3.044
local terms energy: -605.846916
where:
bonds (distance) C4'-P energy: -102.266
bonds (distance) P-C4' energy: -122.703
flat angles C4'-P-C4' energy: -131.506
flat angles P-C4'-P energy: -84.058
tors. eta vs tors. theta energy: -165.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1740.790295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.790295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.790295 (E_RNA)
where:
Base-Base interactions energy: -1202.880
where: short stacking energy: -529.008
Base-Backbone interact. energy: 2.671
local terms energy: -540.581651
where:
bonds (distance) C4'-P energy: -119.337
bonds (distance) P-C4' energy: -106.296
flat angles C4'-P-C4' energy: -103.173
flat angles P-C4'-P energy: -75.887
tors. eta vs tors. theta energy: -135.889
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1530.998876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.998876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.998876 (E_RNA)
where:
Base-Base interactions energy: -1002.363
where: short stacking energy: -455.494
Base-Backbone interact. energy: -2.599
local terms energy: -526.036341
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -119.480
flat angles P-C4'-P energy: -76.806
tors. eta vs tors. theta energy: -110.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1342.004103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.004103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.004103 (E_RNA)
where:
Base-Base interactions energy: -863.298
where: short stacking energy: -381.901
Base-Backbone interact. energy: -0.970
local terms energy: -477.736189
where:
bonds (distance) C4'-P energy: -93.668
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -125.562
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -80.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -777.073223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.073223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.073223 (E_RNA)
where:
Base-Base interactions energy: -375.514
where: short stacking energy: -218.740
Base-Backbone interact. energy: 2.210
local terms energy: -403.769042
where:
bonds (distance) C4'-P energy: -133.487
bonds (distance) P-C4' energy: -115.497
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -67.010
tors. eta vs tors. theta energy: 9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -673.598864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.598864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.598864 (E_RNA)
where:
Base-Base interactions energy: -314.280
where: short stacking energy: -201.299
Base-Backbone interact. energy: -3.007
local terms energy: -356.312505
where:
bonds (distance) C4'-P energy: -109.436
bonds (distance) P-C4' energy: -105.129
flat angles C4'-P-C4' energy: -91.684
flat angles P-C4'-P energy: -64.628
tors. eta vs tors. theta energy: 14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2363.896182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.896182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.896182 (E_RNA)
where:
Base-Base interactions energy: -1684.191
where: short stacking energy: -645.817
Base-Backbone interact. energy: -5.737
local terms energy: -673.967403
where:
bonds (distance) C4'-P energy: -118.730
bonds (distance) P-C4' energy: -132.747
flat angles C4'-P-C4' energy: -148.442
flat angles P-C4'-P energy: -91.398
tors. eta vs tors. theta energy: -182.651
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: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2276.880054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.880054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.880054 (E_RNA)
where:
Base-Base interactions energy: -1573.539
where: short stacking energy: -644.056
Base-Backbone interact. energy: -4.320
local terms energy: -699.021100
where:
bonds (distance) C4'-P energy: -129.194
bonds (distance) P-C4' energy: -129.177
flat angles C4'-P-C4' energy: -149.569
flat angles P-C4'-P energy: -94.021
tors. eta vs tors. theta energy: -197.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2212.417797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.417797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.417797 (E_RNA)
where:
Base-Base interactions energy: -1570.904
where: short stacking energy: -630.337
Base-Backbone interact. energy: 3.403
local terms energy: -644.917192
where:
bonds (distance) C4'-P energy: -108.394
bonds (distance) P-C4' energy: -128.926
flat angles C4'-P-C4' energy: -136.271
flat angles P-C4'-P energy: -96.086
tors. eta vs tors. theta energy: -175.240
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2023.570117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.570117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.570117 (E_RNA)
where:
Base-Base interactions energy: -1398.945
where: short stacking energy: -607.719
Base-Backbone interact. energy: -0.565
local terms energy: -624.059483
where:
bonds (distance) C4'-P energy: -135.289
bonds (distance) P-C4' energy: -116.349
flat angles C4'-P-C4' energy: -129.608
flat angles P-C4'-P energy: -85.129
tors. eta vs tors. theta energy: -157.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1947.966768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.966768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.966768 (E_RNA)
where:
Base-Base interactions energy: -1334.646
where: short stacking energy: -590.452
Base-Backbone interact. energy: -4.965
local terms energy: -608.355261
where:
bonds (distance) C4'-P energy: -124.154
bonds (distance) P-C4' energy: -110.160
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -82.242
tors. eta vs tors. theta energy: -155.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1693.631591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.631591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.631591 (E_RNA)
where:
Base-Base interactions energy: -1091.439
where: short stacking energy: -498.795
Base-Backbone interact. energy: 0.476
local terms energy: -602.667844
where:
bonds (distance) C4'-P energy: -122.721
bonds (distance) P-C4' energy: -119.271
flat angles C4'-P-C4' energy: -138.553
flat angles P-C4'-P energy: -85.408
tors. eta vs tors. theta energy: -136.714
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: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1531.933185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.933185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.933185 (E_RNA)
where:
Base-Base interactions energy: -969.703
where: short stacking energy: -441.407
Base-Backbone interact. energy: -3.016
local terms energy: -559.214031
where:
bonds (distance) C4'-P energy: -104.306
bonds (distance) P-C4' energy: -118.681
flat angles C4'-P-C4' energy: -133.076
flat angles P-C4'-P energy: -76.944
tors. eta vs tors. theta energy: -126.208
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: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1344.262276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.262276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.262276 (E_RNA)
where:
Base-Base interactions energy: -903.314
where: short stacking energy: -402.787
Base-Backbone interact. energy: -2.133
local terms energy: -438.815787
where:
bonds (distance) C4'-P energy: -85.098
bonds (distance) P-C4' energy: -101.986
flat angles C4'-P-C4' energy: -111.887
flat angles P-C4'-P energy: -65.612
tors. eta vs tors. theta energy: -74.233
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: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -843.679147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.679147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.679147 (E_RNA)
where:
Base-Base interactions energy: -455.245
where: short stacking energy: -257.149
Base-Backbone interact. energy: -0.910
local terms energy: -387.523674
where:
bonds (distance) C4'-P energy: -107.924
bonds (distance) P-C4' energy: -87.794
flat angles C4'-P-C4' energy: -116.617
flat angles P-C4'-P energy: -71.224
tors. eta vs tors. theta energy: -3.964
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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -706.953560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.953560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.953560 (E_RNA)
where:
Base-Base interactions energy: -349.622
where: short stacking energy: -211.517
Base-Backbone interact. energy: -0.766
local terms energy: -356.566219
where:
bonds (distance) C4'-P energy: -108.919
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -81.610
flat angles P-C4'-P energy: -66.289
tors. eta vs tors. theta energy: -4.041
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: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2354.111389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.111389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.111389 (E_RNA)
where:
Base-Base interactions energy: -1661.702
where: short stacking energy: -647.165
Base-Backbone interact. energy: -4.305
local terms energy: -688.103764
where:
bonds (distance) C4'-P energy: -128.679
bonds (distance) P-C4' energy: -134.748
flat angles C4'-P-C4' energy: -144.684
flat angles P-C4'-P energy: -97.735
tors. eta vs tors. theta energy: -182.259
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2243.301687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.301687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.301687 (E_RNA)
where:
Base-Base interactions energy: -1571.491
where: short stacking energy: -655.853
Base-Backbone interact. energy: -2.462
local terms energy: -669.348763
where:
bonds (distance) C4'-P energy: -122.792
bonds (distance) P-C4' energy: -125.563
flat angles C4'-P-C4' energy: -145.667
flat angles P-C4'-P energy: -88.076
tors. eta vs tors. theta energy: -187.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2236.645035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.645035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.645035 (E_RNA)
where:
Base-Base interactions energy: -1568.522
where: short stacking energy: -625.749
Base-Backbone interact. energy: 3.184
local terms energy: -671.307772
where:
bonds (distance) C4'-P energy: -113.441
bonds (distance) P-C4' energy: -139.626
flat angles C4'-P-C4' energy: -145.784
flat angles P-C4'-P energy: -88.519
tors. eta vs tors. theta energy: -183.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2041.238031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.238031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.238031 (E_RNA)
where:
Base-Base interactions energy: -1405.476
where: short stacking energy: -604.777
Base-Backbone interact. energy: 0.713
local terms energy: -636.475658
where:
bonds (distance) C4'-P energy: -116.393
bonds (distance) P-C4' energy: -124.207
flat angles C4'-P-C4' energy: -131.577
flat angles P-C4'-P energy: -93.256
tors. eta vs tors. theta energy: -171.043
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: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1887.590276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.590276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.590276 (E_RNA)
where:
Base-Base interactions energy: -1294.140
where: short stacking energy: -554.030
Base-Backbone interact. energy: 3.195
local terms energy: -596.645488
where:
bonds (distance) C4'-P energy: -106.399
bonds (distance) P-C4' energy: -127.130
flat angles C4'-P-C4' energy: -132.037
flat angles P-C4'-P energy: -74.724
tors. eta vs tors. theta energy: -156.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1753.889283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.889283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.889283 (E_RNA)
where:
Base-Base interactions energy: -1187.338
where: short stacking energy: -537.064
Base-Backbone interact. energy: 4.003
local terms energy: -570.554207
where:
bonds (distance) C4'-P energy: -106.214
bonds (distance) P-C4' energy: -112.616
flat angles C4'-P-C4' energy: -114.586
flat angles P-C4'-P energy: -86.035
tors. eta vs tors. theta energy: -151.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1520.936772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.936772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.936772 (E_RNA)
where:
Base-Base interactions energy: -988.341
where: short stacking energy: -440.512
Base-Backbone interact. energy: 0.952
local terms energy: -533.547922
where:
bonds (distance) C4'-P energy: -111.215
bonds (distance) P-C4' energy: -116.444
flat angles C4'-P-C4' energy: -118.395
flat angles P-C4'-P energy: -86.402
tors. eta vs tors. theta energy: -101.092
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1389.483826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.483826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.483826 (E_RNA)
where:
Base-Base interactions energy: -881.982
where: short stacking energy: -375.806
Base-Backbone interact. energy: 1.544
local terms energy: -509.045243
where:
bonds (distance) C4'-P energy: -113.730
bonds (distance) P-C4' energy: -111.659
flat angles C4'-P-C4' energy: -106.209
flat angles P-C4'-P energy: -88.672
tors. eta vs tors. theta energy: -88.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -843.422603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.422603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.422603 (E_RNA)
where:
Base-Base interactions energy: -450.562
where: short stacking energy: -220.641
Base-Backbone interact. energy: 10.811
local terms energy: -403.671291
where:
bonds (distance) C4'-P energy: -122.556
bonds (distance) P-C4' energy: -123.860
flat angles C4'-P-C4' energy: -94.793
flat angles P-C4'-P energy: -54.018
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -673.148976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.148976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.148976 (E_RNA)
where:
Base-Base interactions energy: -317.192
where: short stacking energy: -206.758
Base-Backbone interact. energy: 2.129
local terms energy: -358.085894
where:
bonds (distance) C4'-P energy: -110.868
bonds (distance) P-C4' energy: -105.287
flat angles C4'-P-C4' energy: -92.320
flat angles P-C4'-P energy: -55.517
tors. eta vs tors. theta energy: 5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2344.662969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.662969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.662969 (E_RNA)
where:
Base-Base interactions energy: -1664.644
where: short stacking energy: -685.099
Base-Backbone interact. energy: -2.346
local terms energy: -677.672808
where:
bonds (distance) C4'-P energy: -127.298
bonds (distance) P-C4' energy: -128.089
flat angles C4'-P-C4' energy: -151.300
flat angles P-C4'-P energy: -95.938
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: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2247.409499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.409499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.409499 (E_RNA)
where:
Base-Base interactions energy: -1544.784
where: short stacking energy: -644.476
Base-Backbone interact. energy: -3.298
local terms energy: -699.327728
where:
bonds (distance) C4'-P energy: -125.721
bonds (distance) P-C4' energy: -139.519
flat angles C4'-P-C4' energy: -154.693
flat angles P-C4'-P energy: -91.139
tors. eta vs tors. theta energy: -188.255
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: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2188.438130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.438130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.438130 (E_RNA)
where:
Base-Base interactions energy: -1536.822
where: short stacking energy: -633.951
Base-Backbone interact. energy: -1.116
local terms energy: -650.499710
where:
bonds (distance) C4'-P energy: -104.608
bonds (distance) P-C4' energy: -136.804
flat angles C4'-P-C4' energy: -138.431
flat angles P-C4'-P energy: -90.183
tors. eta vs tors. theta energy: -180.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2051.626984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.626984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.626984 (E_RNA)
where:
Base-Base interactions energy: -1409.614
where: short stacking energy: -622.742
Base-Backbone interact. energy: -1.656
local terms energy: -640.356569
where:
bonds (distance) C4'-P energy: -119.272
bonds (distance) P-C4' energy: -134.824
flat angles C4'-P-C4' energy: -129.993
flat angles P-C4'-P energy: -84.416
tors. eta vs tors. theta energy: -171.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1953.534905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.534905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.534905 (E_RNA)
where:
Base-Base interactions energy: -1326.127
where: short stacking energy: -578.724
Base-Backbone interact. energy: -1.527
local terms energy: -625.881481
where:
bonds (distance) C4'-P energy: -128.342
bonds (distance) P-C4' energy: -117.573
flat angles C4'-P-C4' energy: -142.776
flat angles P-C4'-P energy: -73.628
tors. eta vs tors. theta energy: -163.563
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: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1763.557574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.557574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.557574 (E_RNA)
where:
Base-Base interactions energy: -1192.475
where: short stacking energy: -509.710
Base-Backbone interact. energy: -3.689
local terms energy: -567.393718
where:
bonds (distance) C4'-P energy: -117.260
bonds (distance) P-C4' energy: -117.218
flat angles C4'-P-C4' energy: -113.717
flat angles P-C4'-P energy: -75.650
tors. eta vs tors. theta energy: -143.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1540.248108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.248108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.248108 (E_RNA)
where:
Base-Base interactions energy: -1002.502
where: short stacking energy: -438.356
Base-Backbone interact. energy: -4.126
local terms energy: -533.620046
where:
bonds (distance) C4'-P energy: -112.826
bonds (distance) P-C4' energy: -114.738
flat angles C4'-P-C4' energy: -122.874
flat angles P-C4'-P energy: -71.782
tors. eta vs tors. theta energy: -111.400
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: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1368.206555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.206555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.206555 (E_RNA)
where:
Base-Base interactions energy: -873.681
where: short stacking energy: -383.202
Base-Backbone interact. energy: 0.267
local terms energy: -494.793163
where:
bonds (distance) C4'-P energy: -111.947
bonds (distance) P-C4' energy: -116.721
flat angles C4'-P-C4' energy: -121.560
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -77.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -870.538633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.538633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.538633 (E_RNA)
where:
Base-Base interactions energy: -442.795
where: short stacking energy: -237.458
Base-Backbone interact. energy: -0.362
local terms energy: -427.381495
where:
bonds (distance) C4'-P energy: -113.532
bonds (distance) P-C4' energy: -113.969
flat angles C4'-P-C4' energy: -89.337
flat angles P-C4'-P energy: -65.729
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -687.199336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.199336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.199336 (E_RNA)
where:
Base-Base interactions energy: -346.332
where: short stacking energy: -200.001
Base-Backbone interact. energy: -2.504
local terms energy: -338.363962
where:
bonds (distance) C4'-P energy: -105.393
bonds (distance) P-C4' energy: -103.243
flat angles C4'-P-C4' energy: -90.167
flat angles P-C4'-P energy: -54.580
tors. eta vs tors. theta energy: 15.019
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: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2363.117213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.117213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.117213 (E_RNA)
where:
Base-Base interactions energy: -1681.230
where: short stacking energy: -657.219
Base-Backbone interact. energy: -1.241
local terms energy: -680.646779
where:
bonds (distance) C4'-P energy: -128.524
bonds (distance) P-C4' energy: -135.238
flat angles C4'-P-C4' energy: -140.026
flat angles P-C4'-P energy: -94.929
tors. eta vs tors. theta energy: -181.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2240.290310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.290310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.290310 (E_RNA)
where:
Base-Base interactions energy: -1554.335
where: short stacking energy: -632.812
Base-Backbone interact. energy: -3.130
local terms energy: -682.825544
where:
bonds (distance) C4'-P energy: -125.417
bonds (distance) P-C4' energy: -128.951
flat angles C4'-P-C4' energy: -146.219
flat angles P-C4'-P energy: -102.068
tors. eta vs tors. theta energy: -180.171
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: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2180.496655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.496655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.496655 (E_RNA)
where:
Base-Base interactions energy: -1522.479
where: short stacking energy: -620.070
Base-Backbone interact. energy: 2.130
local terms energy: -660.147775
where:
bonds (distance) C4'-P energy: -120.156
bonds (distance) P-C4' energy: -125.264
flat angles C4'-P-C4' energy: -145.846
flat angles P-C4'-P energy: -93.513
tors. eta vs tors. theta energy: -175.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2059.971449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.971449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.971449 (E_RNA)
where:
Base-Base interactions energy: -1420.425
where: short stacking energy: -596.553
Base-Backbone interact. energy: -2.516
local terms energy: -637.030090
where:
bonds (distance) C4'-P energy: -119.497
bonds (distance) P-C4' energy: -116.390
flat angles C4'-P-C4' energy: -134.252
flat angles P-C4'-P energy: -94.865
tors. eta vs tors. theta energy: -172.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1895.623956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.623956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.623956 (E_RNA)
where:
Base-Base interactions energy: -1312.401
where: short stacking energy: -569.142
Base-Backbone interact. energy: -0.675
local terms energy: -582.547750
where:
bonds (distance) C4'-P energy: -107.705
bonds (distance) P-C4' energy: -113.735
flat angles C4'-P-C4' energy: -123.974
flat angles P-C4'-P energy: -84.280
tors. eta vs tors. theta energy: -152.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1805.394328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.394328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.394328 (E_RNA)
where:
Base-Base interactions energy: -1213.547
where: short stacking energy: -542.202
Base-Backbone interact. energy: -1.220
local terms energy: -590.627340
where:
bonds (distance) C4'-P energy: -113.529
bonds (distance) P-C4' energy: -110.416
flat angles C4'-P-C4' energy: -137.812
flat angles P-C4'-P energy: -74.042
tors. eta vs tors. theta energy: -154.829
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: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1546.080960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.080960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.080960 (E_RNA)
where:
Base-Base interactions energy: -1021.893
where: short stacking energy: -420.628
Base-Backbone interact. energy: 0.375
local terms energy: -524.563195
where:
bonds (distance) C4'-P energy: -121.438
bonds (distance) P-C4' energy: -109.816
flat angles C4'-P-C4' energy: -110.834
flat angles P-C4'-P energy: -88.870
tors. eta vs tors. theta energy: -93.605
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: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1340.232866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.232866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.232866 (E_RNA)
where:
Base-Base interactions energy: -852.484
where: short stacking energy: -376.422
Base-Backbone interact. energy: -3.831
local terms energy: -483.918474
where:
bonds (distance) C4'-P energy: -98.866
bonds (distance) P-C4' energy: -123.325
flat angles C4'-P-C4' energy: -118.282
flat angles P-C4'-P energy: -67.422
tors. eta vs tors. theta energy: -76.023
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: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -725.193242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.193242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.193242 (E_RNA)
where:
Base-Base interactions energy: -348.191
where: short stacking energy: -194.516
Base-Backbone interact. energy: -2.411
local terms energy: -374.591266
where:
bonds (distance) C4'-P energy: -93.784
bonds (distance) P-C4' energy: -116.710
flat angles C4'-P-C4' energy: -107.968
flat angles P-C4'-P energy: -66.755
tors. eta vs tors. theta energy: 10.625
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: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -821.208361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.208361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.208361 (E_RNA)
where:
Base-Base interactions energy: -453.500
where: short stacking energy: -244.278
Base-Backbone interact. energy: 2.459
local terms energy: -370.167019
where:
bonds (distance) C4'-P energy: -108.253
bonds (distance) P-C4' energy: -101.489
flat angles C4'-P-C4' energy: -94.997
flat angles P-C4'-P energy: -55.266
tors. eta vs tors. theta energy: -10.162
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: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2381.968144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.968144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.968144 (E_RNA)
where:
Base-Base interactions energy: -1693.492
where: short stacking energy: -680.148
Base-Backbone interact. energy: -3.051
local terms energy: -685.425318
where:
bonds (distance) C4'-P energy: -118.969
bonds (distance) P-C4' energy: -130.401
flat angles C4'-P-C4' energy: -153.418
flat angles P-C4'-P energy: -103.749
tors. eta vs tors. theta energy: -178.888
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: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2247.625179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.625179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.625179 (E_RNA)
where:
Base-Base interactions energy: -1566.138
where: short stacking energy: -640.003
Base-Backbone interact. energy: -4.129
local terms energy: -677.358355
where:
bonds (distance) C4'-P energy: -127.084
bonds (distance) P-C4' energy: -135.060
flat angles C4'-P-C4' energy: -145.170
flat angles P-C4'-P energy: -95.118
tors. eta vs tors. theta energy: -174.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2164.037402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.037402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.037402 (E_RNA)
where:
Base-Base interactions energy: -1519.207
where: short stacking energy: -637.236
Base-Backbone interact. energy: 3.087
local terms energy: -647.916882
where:
bonds (distance) C4'-P energy: -115.713
bonds (distance) P-C4' energy: -132.693
flat angles C4'-P-C4' energy: -133.324
flat angles P-C4'-P energy: -89.517
tors. eta vs tors. theta energy: -176.670
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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2050.364009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.364009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.364009 (E_RNA)
where:
Base-Base interactions energy: -1381.236
where: short stacking energy: -609.516
Base-Backbone interact. energy: -4.092
local terms energy: -665.036582
where:
bonds (distance) C4'-P energy: -123.753
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -134.766
flat angles P-C4'-P energy: -97.195
tors. eta vs tors. theta energy: -183.223
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: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1931.708069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.708069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.708069 (E_RNA)
where:
Base-Base interactions energy: -1315.497
where: short stacking energy: -582.158
Base-Backbone interact. energy: 0.180
local terms energy: -616.391145
where:
bonds (distance) C4'-P energy: -119.889
bonds (distance) P-C4' energy: -107.380
flat angles C4'-P-C4' energy: -134.294
flat angles P-C4'-P energy: -95.596
tors. eta vs tors. theta energy: -159.233
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: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1792.410578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.410578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.410578 (E_RNA)
where:
Base-Base interactions energy: -1189.776
where: short stacking energy: -547.573
Base-Backbone interact. energy: -2.570
local terms energy: -600.064264
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -123.405
flat angles C4'-P-C4' energy: -128.742
flat angles P-C4'-P energy: -78.841
tors. eta vs tors. theta energy: -163.195
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: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1525.011227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.011227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.011227 (E_RNA)
where:
Base-Base interactions energy: -1020.017
where: short stacking energy: -440.484
Base-Backbone interact. energy: -0.100
local terms energy: -504.893924
where:
bonds (distance) C4'-P energy: -95.152
bonds (distance) P-C4' energy: -120.748
flat angles C4'-P-C4' energy: -111.159
flat angles P-C4'-P energy: -76.580
tors. eta vs tors. theta energy: -101.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1334.324268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.324268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.324268 (E_RNA)
where:
Base-Base interactions energy: -836.340
where: short stacking energy: -384.836
Base-Backbone interact. energy: 2.378
local terms energy: -500.361773
where:
bonds (distance) C4'-P energy: -108.629
bonds (distance) P-C4' energy: -133.962
flat angles C4'-P-C4' energy: -104.149
flat angles P-C4'-P energy: -73.230
tors. eta vs tors. theta energy: -80.392
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: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -736.441109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.441109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.441109 (E_RNA)
where:
Base-Base interactions energy: -372.131
where: short stacking energy: -212.054
Base-Backbone interact. energy: -1.072
local terms energy: -363.237953
where:
bonds (distance) C4'-P energy: -98.786
bonds (distance) P-C4' energy: -107.330
flat angles C4'-P-C4' energy: -96.343
flat angles P-C4'-P energy: -59.354
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -783.318787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.318787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.318787 (E_RNA)
where:
Base-Base interactions energy: -429.064
where: short stacking energy: -212.661
Base-Backbone interact. energy: -3.171
local terms energy: -351.084109
where:
bonds (distance) C4'-P energy: -79.377
bonds (distance) P-C4' energy: -117.996
flat angles C4'-P-C4' energy: -102.376
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -8.047
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: 1, replica: 6
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2368.738458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.738458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.738458 (E_RNA)
where:
Base-Base interactions energy: -1691.600
where: short stacking energy: -643.416
Base-Backbone interact. energy: -0.458
local terms energy: -676.680327
where:
bonds (distance) C4'-P energy: -119.413
bonds (distance) P-C4' energy: -133.557
flat angles C4'-P-C4' energy: -137.999
flat angles P-C4'-P energy: -110.498
tors. eta vs tors. theta energy: -175.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2231.751199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.751199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.751199 (E_RNA)
where:
Base-Base interactions energy: -1548.700
where: short stacking energy: -635.069
Base-Backbone interact. energy: -3.328
local terms energy: -679.723074
where:
bonds (distance) C4'-P energy: -126.457
bonds (distance) P-C4' energy: -124.615
flat angles C4'-P-C4' energy: -150.641
flat angles P-C4'-P energy: -97.499
tors. eta vs tors. theta energy: -180.511
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2155.697737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.697737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.697737 (E_RNA)
where:
Base-Base interactions energy: -1475.918
where: short stacking energy: -602.192
Base-Backbone interact. energy: -4.102
local terms energy: -675.678334
where:
bonds (distance) C4'-P energy: -115.413
bonds (distance) P-C4' energy: -128.503
flat angles C4'-P-C4' energy: -159.442
flat angles P-C4'-P energy: -108.320
tors. eta vs tors. theta energy: -164.000
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: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2047.006826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.006826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.006826 (E_RNA)
where:
Base-Base interactions energy: -1417.421
where: short stacking energy: -630.547
Base-Backbone interact. energy: -0.312
local terms energy: -629.273812
where:
bonds (distance) C4'-P energy: -114.404
bonds (distance) P-C4' energy: -110.257
flat angles C4'-P-C4' energy: -140.357
flat angles P-C4'-P energy: -76.841
tors. eta vs tors. theta energy: -187.415
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: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2012.217891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.217891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.217891 (E_RNA)
where:
Base-Base interactions energy: -1368.384
where: short stacking energy: -577.125
Base-Backbone interact. energy: -4.952
local terms energy: -638.881788
where:
bonds (distance) C4'-P energy: -124.222
bonds (distance) P-C4' energy: -123.251
flat angles C4'-P-C4' energy: -141.161
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -170.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1839.533669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.533669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.533669 (E_RNA)
where:
Base-Base interactions energy: -1237.181
where: short stacking energy: -536.903
Base-Backbone interact. energy: 0.938
local terms energy: -603.291135
where:
bonds (distance) C4'-P energy: -98.074
bonds (distance) P-C4' energy: -128.263
flat angles C4'-P-C4' energy: -143.907
flat angles P-C4'-P energy: -78.199
tors. eta vs tors. theta energy: -154.849
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: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1466.109052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.109052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.109052 (E_RNA)
where:
Base-Base interactions energy: -971.126
where: short stacking energy: -436.190
Base-Backbone interact. energy: 0.317
local terms energy: -495.299882
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -119.814
flat angles C4'-P-C4' energy: -119.806
flat angles P-C4'-P energy: -61.593
tors. eta vs tors. theta energy: -94.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1396.317868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.317868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.317868 (E_RNA)
where:
Base-Base interactions energy: -928.745
where: short stacking energy: -409.230
Base-Backbone interact. energy: -2.892
local terms energy: -464.681289
where:
bonds (distance) C4'-P energy: -110.668
bonds (distance) P-C4' energy: -110.873
flat angles C4'-P-C4' energy: -98.243
flat angles P-C4'-P energy: -60.452
tors. eta vs tors. theta energy: -84.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -806.812628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.812628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.812628 (E_RNA)
where:
Base-Base interactions energy: -413.935
where: short stacking energy: -237.937
Base-Backbone interact. energy: -1.676
local terms energy: -391.201144
where:
bonds (distance) C4'-P energy: -97.308
bonds (distance) P-C4' energy: -106.786
flat angles C4'-P-C4' energy: -91.995
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -719.514898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.514898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.514898 (E_RNA)
where:
Base-Base interactions energy: -379.892
where: short stacking energy: -229.410
Base-Backbone interact. energy: 3.013
local terms energy: -342.635020
where:
bonds (distance) C4'-P energy: -83.856
bonds (distance) P-C4' energy: -103.356
flat angles C4'-P-C4' energy: -81.794
flat angles P-C4'-P energy: -58.974
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2378.357494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.357494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.357494 (E_RNA)
where:
Base-Base interactions energy: -1658.965
where: short stacking energy: -677.879
Base-Backbone interact. energy: -3.351
local terms energy: -716.041524
where:
bonds (distance) C4'-P energy: -136.221
bonds (distance) P-C4' energy: -135.723
flat angles C4'-P-C4' energy: -151.215
flat angles P-C4'-P energy: -109.462
tors. eta vs tors. theta energy: -183.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2268.088624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.088624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.088624 (E_RNA)
where:
Base-Base interactions energy: -1590.495
where: short stacking energy: -658.287
Base-Backbone interact. energy: -3.442
local terms energy: -674.151381
where:
bonds (distance) C4'-P energy: -125.700
bonds (distance) P-C4' energy: -119.055
flat angles C4'-P-C4' energy: -156.142
flat angles P-C4'-P energy: -92.837
tors. eta vs tors. theta energy: -180.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2166.423271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.423271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.423271 (E_RNA)
where:
Base-Base interactions energy: -1500.450
where: short stacking energy: -613.366
Base-Backbone interact. energy: -5.774
local terms energy: -660.198646
where:
bonds (distance) C4'-P energy: -130.848
bonds (distance) P-C4' energy: -129.880
flat angles C4'-P-C4' energy: -146.434
flat angles P-C4'-P energy: -94.821
tors. eta vs tors. theta energy: -158.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2077.392971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.392971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.392971 (E_RNA)
where:
Base-Base interactions energy: -1453.117
where: short stacking energy: -618.362
Base-Backbone interact. energy: -0.336
local terms energy: -623.940060
where:
bonds (distance) C4'-P energy: -105.186
bonds (distance) P-C4' energy: -137.071
flat angles C4'-P-C4' energy: -131.051
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -178.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1980.569653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.569653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.569653 (E_RNA)
where:
Base-Base interactions energy: -1374.409
where: short stacking energy: -587.341
Base-Backbone interact. energy: -1.790
local terms energy: -604.370041
where:
bonds (distance) C4'-P energy: -117.163
bonds (distance) P-C4' energy: -102.952
flat angles C4'-P-C4' energy: -139.180
flat angles P-C4'-P energy: -82.111
tors. eta vs tors. theta energy: -162.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1804.890268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.890268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.890268 (E_RNA)
where:
Base-Base interactions energy: -1234.238
where: short stacking energy: -538.320
Base-Backbone interact. energy: -1.062
local terms energy: -569.589867
where:
bonds (distance) C4'-P energy: -103.726
bonds (distance) P-C4' energy: -107.709
flat angles C4'-P-C4' energy: -128.391
flat angles P-C4'-P energy: -73.249
tors. eta vs tors. theta energy: -156.515
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: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1445.344588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.344588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.344588 (E_RNA)
where:
Base-Base interactions energy: -936.872
where: short stacking energy: -406.572
Base-Backbone interact. energy: -1.173
local terms energy: -507.300039
where:
bonds (distance) C4'-P energy: -115.233
bonds (distance) P-C4' energy: -122.938
flat angles C4'-P-C4' energy: -123.390
flat angles P-C4'-P energy: -65.372
tors. eta vs tors. theta energy: -80.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1443.525778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.525778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.525778 (E_RNA)
where:
Base-Base interactions energy: -952.669
where: short stacking energy: -409.991
Base-Backbone interact. energy: -3.168
local terms energy: -487.688127
where:
bonds (distance) C4'-P energy: -105.613
bonds (distance) P-C4' energy: -107.519
flat angles C4'-P-C4' energy: -106.146
flat angles P-C4'-P energy: -72.519
tors. eta vs tors. theta energy: -95.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -799.260136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.260136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.260136 (E_RNA)
where:
Base-Base interactions energy: -445.687
where: short stacking energy: -213.482
Base-Backbone interact. energy: 0.150
local terms energy: -353.723402
where:
bonds (distance) C4'-P energy: -108.137
bonds (distance) P-C4' energy: -110.786
flat angles C4'-P-C4' energy: -90.044
flat angles P-C4'-P energy: -61.089
tors. eta vs tors. theta energy: 16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -675.569268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.569268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.569268 (E_RNA)
where:
Base-Base interactions energy: -327.066
where: short stacking energy: -194.283
Base-Backbone interact. energy: 4.156
local terms energy: -352.658920
where:
bonds (distance) C4'-P energy: -103.725
bonds (distance) P-C4' energy: -110.843
flat angles C4'-P-C4' energy: -102.824
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: 7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2386.396672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.396672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.396672 (E_RNA)
where:
Base-Base interactions energy: -1686.371
where: short stacking energy: -666.881
Base-Backbone interact. energy: 1.080
local terms energy: -701.106456
where:
bonds (distance) C4'-P energy: -128.700
bonds (distance) P-C4' energy: -129.628
flat angles C4'-P-C4' energy: -148.793
flat angles P-C4'-P energy: -110.146
tors. eta vs tors. theta energy: -183.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2275.513488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.513488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.513488 (E_RNA)
where:
Base-Base interactions energy: -1585.082
where: short stacking energy: -650.408
Base-Backbone interact. energy: -3.237
local terms energy: -687.194541
where:
bonds (distance) C4'-P energy: -125.729
bonds (distance) P-C4' energy: -141.906
flat angles C4'-P-C4' energy: -147.103
flat angles P-C4'-P energy: -84.306
tors. eta vs tors. theta energy: -188.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2172.971292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.971292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.971292 (E_RNA)
where:
Base-Base interactions energy: -1498.169
where: short stacking energy: -629.292
Base-Backbone interact. energy: 0.245
local terms energy: -675.047103
where:
bonds (distance) C4'-P energy: -128.558
bonds (distance) P-C4' energy: -121.351
flat angles C4'-P-C4' energy: -152.508
flat angles P-C4'-P energy: -90.110
tors. eta vs tors. theta energy: -182.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2062.768254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.768254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.768254 (E_RNA)
where:
Base-Base interactions energy: -1409.123
where: short stacking energy: -601.150
Base-Backbone interact. energy: -1.376
local terms energy: -652.269037
where:
bonds (distance) C4'-P energy: -118.305
bonds (distance) P-C4' energy: -125.973
flat angles C4'-P-C4' energy: -145.209
flat angles P-C4'-P energy: -88.272
tors. eta vs tors. theta energy: -174.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1931.575655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.575655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.575655 (E_RNA)
where:
Base-Base interactions energy: -1305.865
where: short stacking energy: -563.408
Base-Backbone interact. energy: 0.598
local terms energy: -626.308452
where:
bonds (distance) C4'-P energy: -132.108
bonds (distance) P-C4' energy: -113.838
flat angles C4'-P-C4' energy: -136.271
flat angles P-C4'-P energy: -72.250
tors. eta vs tors. theta energy: -171.842
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: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1783.047032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.047032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.047032 (E_RNA)
where:
Base-Base interactions energy: -1174.996
where: short stacking energy: -517.066
Base-Backbone interact. energy: -0.028
local terms energy: -608.023361
where:
bonds (distance) C4'-P energy: -113.509
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -136.688
flat angles P-C4'-P energy: -91.148
tors. eta vs tors. theta energy: -158.586
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1490.781616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.781616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.781616 (E_RNA)
where:
Base-Base interactions energy: -969.587
where: short stacking energy: -446.206
Base-Backbone interact. energy: -1.776
local terms energy: -519.418175
where:
bonds (distance) C4'-P energy: -107.140
bonds (distance) P-C4' energy: -111.779
flat angles C4'-P-C4' energy: -118.442
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -101.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1389.229404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.229404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.229404 (E_RNA)
where:
Base-Base interactions energy: -918.739
where: short stacking energy: -387.343
Base-Backbone interact. energy: -1.086
local terms energy: -469.403551
where:
bonds (distance) C4'-P energy: -98.925
bonds (distance) P-C4' energy: -112.486
flat angles C4'-P-C4' energy: -129.776
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -93.023
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: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -796.904497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.904497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.904497 (E_RNA)
where:
Base-Base interactions energy: -431.740
where: short stacking energy: -219.355
Base-Backbone interact. energy: 8.472
local terms energy: -373.636618
where:
bonds (distance) C4'-P energy: -99.374
bonds (distance) P-C4' energy: -111.604
flat angles C4'-P-C4' energy: -91.847
flat angles P-C4'-P energy: -82.775
tors. eta vs tors. theta energy: 11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -673.834339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.834339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.834339 (E_RNA)
where:
Base-Base interactions energy: -328.368
where: short stacking energy: -202.045
Base-Backbone interact. energy: -1.125
local terms energy: -344.342010
where:
bonds (distance) C4'-P energy: -101.205
bonds (distance) P-C4' energy: -103.034
flat angles C4'-P-C4' energy: -99.661
flat angles P-C4'-P energy: -50.895
tors. eta vs tors. theta energy: 10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2385.798915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.798915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.798915 (E_RNA)
where:
Base-Base interactions energy: -1666.794
where: short stacking energy: -663.754
Base-Backbone interact. energy: -1.490
local terms energy: -717.515226
where:
bonds (distance) C4'-P energy: -130.062
bonds (distance) P-C4' energy: -139.780
flat angles C4'-P-C4' energy: -157.752
flat angles P-C4'-P energy: -102.016
tors. eta vs tors. theta energy: -187.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2250.883842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.883842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.883842 (E_RNA)
where:
Base-Base interactions energy: -1560.025
where: short stacking energy: -635.520
Base-Backbone interact. energy: -2.620
local terms energy: -688.238829
where:
bonds (distance) C4'-P energy: -133.365
bonds (distance) P-C4' energy: -124.717
flat angles C4'-P-C4' energy: -142.456
flat angles P-C4'-P energy: -104.863
tors. eta vs tors. theta energy: -182.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2170.645934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.645934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.645934 (E_RNA)
where:
Base-Base interactions energy: -1516.194
where: short stacking energy: -635.669
Base-Backbone interact. energy: -3.456
local terms energy: -650.996250
where:
bonds (distance) C4'-P energy: -125.842
bonds (distance) P-C4' energy: -125.546
flat angles C4'-P-C4' energy: -151.191
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -176.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2040.329526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.329526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.329526 (E_RNA)
where:
Base-Base interactions energy: -1398.682
where: short stacking energy: -605.148
Base-Backbone interact. energy: -1.355
local terms energy: -640.292355
where:
bonds (distance) C4'-P energy: -117.709
bonds (distance) P-C4' energy: -114.086
flat angles C4'-P-C4' energy: -146.280
flat angles P-C4'-P energy: -78.621
tors. eta vs tors. theta energy: -183.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1946.734959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.734959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.734959 (E_RNA)
where:
Base-Base interactions energy: -1324.531
where: short stacking energy: -568.109
Base-Backbone interact. energy: 0.437
local terms energy: -622.640541
where:
bonds (distance) C4'-P energy: -100.421
bonds (distance) P-C4' energy: -135.499
flat angles C4'-P-C4' energy: -129.155
flat angles P-C4'-P energy: -93.726
tors. eta vs tors. theta energy: -163.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1809.330388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.330388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.330388 (E_RNA)
where:
Base-Base interactions energy: -1218.710
where: short stacking energy: -553.323
Base-Backbone interact. energy: 0.015
local terms energy: -590.636295
where:
bonds (distance) C4'-P energy: -114.864
bonds (distance) P-C4' energy: -116.647
flat angles C4'-P-C4' energy: -136.909
flat angles P-C4'-P energy: -68.538
tors. eta vs tors. theta energy: -153.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1562.792058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.792058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.792058 (E_RNA)
where:
Base-Base interactions energy: -1019.972
where: short stacking energy: -464.175
Base-Backbone interact. energy: 1.035
local terms energy: -543.855129
where:
bonds (distance) C4'-P energy: -116.095
bonds (distance) P-C4' energy: -109.019
flat angles C4'-P-C4' energy: -125.152
flat angles P-C4'-P energy: -74.430
tors. eta vs tors. theta energy: -119.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1323.395781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.395781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.395781 (E_RNA)
where:
Base-Base interactions energy: -848.586
where: short stacking energy: -392.221
Base-Backbone interact. energy: -0.215
local terms energy: -474.594450
where:
bonds (distance) C4'-P energy: -99.974
bonds (distance) P-C4' energy: -117.107
flat angles C4'-P-C4' energy: -102.287
flat angles P-C4'-P energy: -63.738
tors. eta vs tors. theta energy: -91.489
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: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -884.614411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.614411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.614411 (E_RNA)
where:
Base-Base interactions energy: -480.764
where: short stacking energy: -264.865
Base-Backbone interact. energy: -1.648
local terms energy: -402.201888
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -111.444
flat angles C4'-P-C4' energy: -98.828
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -657.857749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.857749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.857749 (E_RNA)
where:
Base-Base interactions energy: -323.325
where: short stacking energy: -184.645
Base-Backbone interact. energy: -1.505
local terms energy: -333.027383
where:
bonds (distance) C4'-P energy: -93.291
bonds (distance) P-C4' energy: -88.153
flat angles C4'-P-C4' energy: -107.348
flat angles P-C4'-P energy: -58.286
tors. eta vs tors. theta energy: 14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2371.579055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.579055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.579055 (E_RNA)
where:
Base-Base interactions energy: -1685.279
where: short stacking energy: -655.182
Base-Backbone interact. energy: -4.161
local terms energy: -682.138842
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -121.270
flat angles C4'-P-C4' energy: -153.186
flat angles P-C4'-P energy: -96.214
tors. eta vs tors. theta energy: -182.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2232.506160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.506160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.506160 (E_RNA)
where:
Base-Base interactions energy: -1556.025
where: short stacking energy: -641.288
Base-Backbone interact. energy: -5.286
local terms energy: -671.195046
where:
bonds (distance) C4'-P energy: -132.444
bonds (distance) P-C4' energy: -132.103
flat angles C4'-P-C4' energy: -137.529
flat angles P-C4'-P energy: -99.410
tors. eta vs tors. theta energy: -169.710
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2207.918441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.918441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.918441 (E_RNA)
where:
Base-Base interactions energy: -1538.384
where: short stacking energy: -630.237
Base-Backbone interact. energy: -1.009
local terms energy: -668.525462
where:
bonds (distance) C4'-P energy: -120.741
bonds (distance) P-C4' energy: -125.219
flat angles C4'-P-C4' energy: -160.763
flat angles P-C4'-P energy: -89.644
tors. eta vs tors. theta energy: -172.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2079.742767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.742767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.742767 (E_RNA)
where:
Base-Base interactions energy: -1417.575
where: short stacking energy: -613.097
Base-Backbone interact. energy: -0.821
local terms energy: -661.347569
where:
bonds (distance) C4'-P energy: -121.810
bonds (distance) P-C4' energy: -126.802
flat angles C4'-P-C4' energy: -142.183
flat angles P-C4'-P energy: -99.818
tors. eta vs tors. theta energy: -170.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1937.043130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.043130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.043130 (E_RNA)
where:
Base-Base interactions energy: -1295.674
where: short stacking energy: -564.453
Base-Backbone interact. energy: -2.623
local terms energy: -638.746156
where:
bonds (distance) C4'-P energy: -129.720
bonds (distance) P-C4' energy: -128.646
flat angles C4'-P-C4' energy: -140.777
flat angles P-C4'-P energy: -80.044
tors. eta vs tors. theta energy: -159.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1808.078842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.078842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.078842 (E_RNA)
where:
Base-Base interactions energy: -1211.895
where: short stacking energy: -550.108
Base-Backbone interact. energy: -1.767
local terms energy: -594.416592
where:
bonds (distance) C4'-P energy: -96.869
bonds (distance) P-C4' energy: -111.720
flat angles C4'-P-C4' energy: -137.755
flat angles P-C4'-P energy: -81.783
tors. eta vs tors. theta energy: -166.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1488.594967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.594967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.594967 (E_RNA)
where:
Base-Base interactions energy: -954.001
where: short stacking energy: -434.774
Base-Backbone interact. energy: 1.410
local terms energy: -536.003833
where:
bonds (distance) C4'-P energy: -112.734
bonds (distance) P-C4' energy: -123.450
flat angles C4'-P-C4' energy: -127.107
flat angles P-C4'-P energy: -72.986
tors. eta vs tors. theta energy: -99.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1303.994790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.994790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.994790 (E_RNA)
where:
Base-Base interactions energy: -827.946
where: short stacking energy: -352.267
Base-Backbone interact. energy: -0.186
local terms energy: -475.862803
where:
bonds (distance) C4'-P energy: -117.938
bonds (distance) P-C4' energy: -99.520
flat angles C4'-P-C4' energy: -107.244
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -64.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -891.643898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.643898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.643898 (E_RNA)
where:
Base-Base interactions energy: -499.024
where: short stacking energy: -243.627
Base-Backbone interact. energy: -0.505
local terms energy: -392.115547
where:
bonds (distance) C4'-P energy: -102.878
bonds (distance) P-C4' energy: -131.470
flat angles C4'-P-C4' energy: -76.007
flat angles P-C4'-P energy: -68.161
tors. eta vs tors. theta energy: -13.600
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: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -668.457546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.457546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.457546 (E_RNA)
where:
Base-Base interactions energy: -313.791
where: short stacking energy: -182.556
Base-Backbone interact. energy: -1.355
local terms energy: -353.311320
where:
bonds (distance) C4'-P energy: -98.442
bonds (distance) P-C4' energy: -117.556
flat angles C4'-P-C4' energy: -84.717
flat angles P-C4'-P energy: -52.200
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2408.112135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.112135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.112135 (E_RNA)
where:
Base-Base interactions energy: -1714.077
where: short stacking energy: -687.265
Base-Backbone interact. energy: -3.964
local terms energy: -690.071516
where:
bonds (distance) C4'-P energy: -133.661
bonds (distance) P-C4' energy: -135.973
flat angles C4'-P-C4' energy: -134.235
flat angles P-C4'-P energy: -105.543
tors. eta vs tors. theta energy: -180.660
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: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2247.832998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.832998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.832998 (E_RNA)
where:
Base-Base interactions energy: -1570.256
where: short stacking energy: -630.588
Base-Backbone interact. energy: -3.406
local terms energy: -674.171405
where:
bonds (distance) C4'-P energy: -129.109
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -147.866
flat angles P-C4'-P energy: -88.370
tors. eta vs tors. theta energy: -173.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2158.475324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.475324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.475324 (E_RNA)
where:
Base-Base interactions energy: -1485.520
where: short stacking energy: -604.184
Base-Backbone interact. energy: 0.063
local terms energy: -673.019003
where:
bonds (distance) C4'-P energy: -132.115
bonds (distance) P-C4' energy: -135.538
flat angles C4'-P-C4' energy: -145.209
flat angles P-C4'-P energy: -88.543
tors. eta vs tors. theta energy: -171.614
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: 323
Temperature: 1.050000
Total energy: -2053.125827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.125827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.125827 (E_RNA)
where:
Base-Base interactions energy: -1416.857
where: short stacking energy: -578.306
Base-Backbone interact. energy: -2.133
local terms energy: -634.135499
where:
bonds (distance) C4'-P energy: -107.031
bonds (distance) P-C4' energy: -149.611
flat angles C4'-P-C4' energy: -134.406
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -160.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1936.231320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.231320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.231320 (E_RNA)
where:
Base-Base interactions energy: -1299.252
where: short stacking energy: -561.888
Base-Backbone interact. energy: -1.183
local terms energy: -635.797054
where:
bonds (distance) C4'-P energy: -121.293
bonds (distance) P-C4' energy: -129.100
flat angles C4'-P-C4' energy: -145.280
flat angles P-C4'-P energy: -76.517
tors. eta vs tors. theta energy: -163.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1779.904516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.904516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.904516 (E_RNA)
where:
Base-Base interactions energy: -1190.570
where: short stacking energy: -528.314
Base-Backbone interact. energy: -0.749
local terms energy: -588.585318
where:
bonds (distance) C4'-P energy: -105.166
bonds (distance) P-C4' energy: -137.427
flat angles C4'-P-C4' energy: -122.752
flat angles P-C4'-P energy: -83.081
tors. eta vs tors. theta energy: -140.160
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1540.765743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.765743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.765743 (E_RNA)
where:
Base-Base interactions energy: -1035.335
where: short stacking energy: -460.032
Base-Backbone interact. energy: 0.068
local terms energy: -505.498276
where:
bonds (distance) C4'-P energy: -112.932
bonds (distance) P-C4' energy: -102.384
flat angles C4'-P-C4' energy: -116.989
flat angles P-C4'-P energy: -70.122
tors. eta vs tors. theta energy: -103.071
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: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1162.765492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.765492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.765492 (E_RNA)
where:
Base-Base interactions energy: -720.361
where: short stacking energy: -315.891
Base-Backbone interact. energy: -3.341
local terms energy: -439.062808
where:
bonds (distance) C4'-P energy: -106.356
bonds (distance) P-C4' energy: -98.704
flat angles C4'-P-C4' energy: -108.668
flat angles P-C4'-P energy: -69.269
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: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -884.412654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.412654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.412654 (E_RNA)
where:
Base-Base interactions energy: -479.054
where: short stacking energy: -263.932
Base-Backbone interact. energy: -1.051
local terms energy: -404.307804
where:
bonds (distance) C4'-P energy: -96.041
bonds (distance) P-C4' energy: -114.554
flat angles C4'-P-C4' energy: -110.905
flat angles P-C4'-P energy: -49.867
tors. eta vs tors. theta energy: -32.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -668.119445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.119445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.119445 (E_RNA)
where:
Base-Base interactions energy: -328.083
where: short stacking energy: -198.923
Base-Backbone interact. energy: 0.119
local terms energy: -340.155259
where:
bonds (distance) C4'-P energy: -101.855
bonds (distance) P-C4' energy: -108.953
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -56.026
tors. eta vs tors. theta energy: 2.502
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: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2332.718879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.718879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.718879 (E_RNA)
where:
Base-Base interactions energy: -1665.319
where: short stacking energy: -659.069
Base-Backbone interact. energy: 1.606
local terms energy: -669.005786
where:
bonds (distance) C4'-P energy: -123.401
bonds (distance) P-C4' energy: -137.235
flat angles C4'-P-C4' energy: -140.565
flat angles P-C4'-P energy: -94.732
tors. eta vs tors. theta energy: -173.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2271.887824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.887824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.887824 (E_RNA)
where:
Base-Base interactions energy: -1593.410
where: short stacking energy: -653.559
Base-Backbone interact. energy: 4.787
local terms energy: -683.264900
where:
bonds (distance) C4'-P energy: -125.826
bonds (distance) P-C4' energy: -124.518
flat angles C4'-P-C4' energy: -151.859
flat angles P-C4'-P energy: -103.038
tors. eta vs tors. theta energy: -178.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2153.913660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.913660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.913660 (E_RNA)
where:
Base-Base interactions energy: -1490.684
where: short stacking energy: -591.469
Base-Backbone interact. energy: -2.544
local terms energy: -660.685636
where:
bonds (distance) C4'-P energy: -129.183
bonds (distance) P-C4' energy: -133.780
flat angles C4'-P-C4' energy: -138.635
flat angles P-C4'-P energy: -85.012
tors. eta vs tors. theta energy: -174.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2029.399044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.399044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.399044 (E_RNA)
where:
Base-Base interactions energy: -1376.015
where: short stacking energy: -581.904
Base-Backbone interact. energy: -0.645
local terms energy: -652.739562
where:
bonds (distance) C4'-P energy: -124.392
bonds (distance) P-C4' energy: -137.674
flat angles C4'-P-C4' energy: -148.249
flat angles P-C4'-P energy: -92.616
tors. eta vs tors. theta energy: -149.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1955.736146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.736146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.736146 (E_RNA)
where:
Base-Base interactions energy: -1308.434
where: short stacking energy: -568.220
Base-Backbone interact. energy: -1.262
local terms energy: -646.040685
where:
bonds (distance) C4'-P energy: -123.405
bonds (distance) P-C4' energy: -124.469
flat angles C4'-P-C4' energy: -140.292
flat angles P-C4'-P energy: -98.042
tors. eta vs tors. theta energy: -159.832
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: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1803.258929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.258929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.258929 (E_RNA)
where:
Base-Base interactions energy: -1239.733
where: short stacking energy: -542.317
Base-Backbone interact. energy: -0.651
local terms energy: -562.875125
where:
bonds (distance) C4'-P energy: -96.466
bonds (distance) P-C4' energy: -112.681
flat angles C4'-P-C4' energy: -132.249
flat angles P-C4'-P energy: -77.182
tors. eta vs tors. theta energy: -144.297
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: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1591.335075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.335075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.335075 (E_RNA)
where:
Base-Base interactions energy: -1061.603
where: short stacking energy: -481.939
Base-Backbone interact. energy: 1.698
local terms energy: -531.429949
where:
bonds (distance) C4'-P energy: -118.921
bonds (distance) P-C4' energy: -102.415
flat angles C4'-P-C4' energy: -129.684
flat angles P-C4'-P energy: -68.846
tors. eta vs tors. theta energy: -111.564
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: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1143.714096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.714096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.714096 (E_RNA)
where:
Base-Base interactions energy: -703.013
where: short stacking energy: -330.344
Base-Backbone interact. energy: -2.743
local terms energy: -437.958123
where:
bonds (distance) C4'-P energy: -102.042
bonds (distance) P-C4' energy: -112.189
flat angles C4'-P-C4' energy: -109.553
flat angles P-C4'-P energy: -51.601
tors. eta vs tors. theta energy: -62.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -845.367769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.367769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.367769 (E_RNA)
where:
Base-Base interactions energy: -461.127
where: short stacking energy: -246.803
Base-Backbone interact. energy: -2.488
local terms energy: -381.752634
where:
bonds (distance) C4'-P energy: -117.804
bonds (distance) P-C4' energy: -124.648
flat angles C4'-P-C4' energy: -78.860
flat angles P-C4'-P energy: -51.220
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -686.065922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.065922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.065922 (E_RNA)
where:
Base-Base interactions energy: -348.889
where: short stacking energy: -215.434
Base-Backbone interact. energy: -1.444
local terms energy: -335.732479
where:
bonds (distance) C4'-P energy: -102.279
bonds (distance) P-C4' energy: -104.115
flat angles C4'-P-C4' energy: -78.898
flat angles P-C4'-P energy: -54.444
tors. eta vs tors. theta energy: 4.004
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: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2364.506564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.506564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.506564 (E_RNA)
where:
Base-Base interactions energy: -1667.688
where: short stacking energy: -693.395
Base-Backbone interact. energy: -6.675
local terms energy: -690.143843
where:
bonds (distance) C4'-P energy: -130.987
bonds (distance) P-C4' energy: -124.294
flat angles C4'-P-C4' energy: -146.104
flat angles P-C4'-P energy: -100.066
tors. eta vs tors. theta energy: -188.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2237.298126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.298126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.298126 (E_RNA)
where:
Base-Base interactions energy: -1572.777
where: short stacking energy: -631.411
Base-Backbone interact. energy: -0.824
local terms energy: -663.697557
where:
bonds (distance) C4'-P energy: -117.059
bonds (distance) P-C4' energy: -125.156
flat angles C4'-P-C4' energy: -152.911
flat angles P-C4'-P energy: -87.887
tors. eta vs tors. theta energy: -180.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2199.275743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.275743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.275743 (E_RNA)
where:
Base-Base interactions energy: -1519.408
where: short stacking energy: -650.383
Base-Backbone interact. energy: -3.838
local terms energy: -676.030501
where:
bonds (distance) C4'-P energy: -114.657
bonds (distance) P-C4' energy: -132.542
flat angles C4'-P-C4' energy: -144.108
flat angles P-C4'-P energy: -94.434
tors. eta vs tors. theta energy: -190.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1932.829689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.829689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.829689 (E_RNA)
where:
Base-Base interactions energy: -1301.854
where: short stacking energy: -560.643
Base-Backbone interact. energy: -3.263
local terms energy: -627.713012
where:
bonds (distance) C4'-P energy: -128.228
bonds (distance) P-C4' energy: -118.064
flat angles C4'-P-C4' energy: -138.666
flat angles P-C4'-P energy: -87.875
tors. eta vs tors. theta energy: -154.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2002.297213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.297213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.297213 (E_RNA)
where:
Base-Base interactions energy: -1394.857
where: short stacking energy: -588.717
Base-Backbone interact. energy: 0.768
local terms energy: -608.208146
where:
bonds (distance) C4'-P energy: -107.823
bonds (distance) P-C4' energy: -131.985
flat angles C4'-P-C4' energy: -137.147
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -156.493
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: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1853.829577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.829577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.829577 (E_RNA)
where:
Base-Base interactions energy: -1268.441
where: short stacking energy: -528.527
Base-Backbone interact. energy: -2.643
local terms energy: -582.745338
where:
bonds (distance) C4'-P energy: -119.273
bonds (distance) P-C4' energy: -123.153
flat angles C4'-P-C4' energy: -117.709
flat angles P-C4'-P energy: -84.597
tors. eta vs tors. theta energy: -138.014
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: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1532.256573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.256573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.256573 (E_RNA)
where:
Base-Base interactions energy: -1031.807
where: short stacking energy: -444.916
Base-Backbone interact. energy: -1.612
local terms energy: -498.837482
where:
bonds (distance) C4'-P energy: -120.505
bonds (distance) P-C4' energy: -98.712
flat angles C4'-P-C4' energy: -106.773
flat angles P-C4'-P energy: -78.944
tors. eta vs tors. theta energy: -93.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1080.102327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.102327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.102327 (E_RNA)
where:
Base-Base interactions energy: -649.682
where: short stacking energy: -312.187
Base-Backbone interact. energy: -0.559
local terms energy: -429.861548
where:
bonds (distance) C4'-P energy: -94.425
bonds (distance) P-C4' energy: -113.020
flat angles C4'-P-C4' energy: -120.683
flat angles P-C4'-P energy: -55.085
tors. eta vs tors. theta energy: -46.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -885.687998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.687998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.687998 (E_RNA)
where:
Base-Base interactions energy: -479.402
where: short stacking energy: -235.376
Base-Backbone interact. energy: -0.879
local terms energy: -405.407645
where:
bonds (distance) C4'-P energy: -112.073
bonds (distance) P-C4' energy: -108.342
flat angles C4'-P-C4' energy: -108.416
flat angles P-C4'-P energy: -61.805
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -705.432908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.432908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.432908 (E_RNA)
where:
Base-Base interactions energy: -325.413
where: short stacking energy: -211.620
Base-Backbone interact. energy: 1.226
local terms energy: -381.246011
where:
bonds (distance) C4'-P energy: -113.630
bonds (distance) P-C4' energy: -121.659
flat angles C4'-P-C4' energy: -82.614
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2364.115853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.115853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.115853 (E_RNA)
where:
Base-Base interactions energy: -1669.608
where: short stacking energy: -683.626
Base-Backbone interact. energy: -3.522
local terms energy: -690.985274
where:
bonds (distance) C4'-P energy: -125.237
bonds (distance) P-C4' energy: -136.053
flat angles C4'-P-C4' energy: -144.550
flat angles P-C4'-P energy: -96.046
tors. eta vs tors. theta energy: -189.099
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: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2232.651382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.651382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.651382 (E_RNA)
where:
Base-Base interactions energy: -1572.446
where: short stacking energy: -631.595
Base-Backbone interact. energy: -3.275
local terms energy: -656.930953
where:
bonds (distance) C4'-P energy: -108.576
bonds (distance) P-C4' energy: -143.933
flat angles C4'-P-C4' energy: -136.111
flat angles P-C4'-P energy: -85.972
tors. eta vs tors. theta energy: -182.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2138.887513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.887513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.887513 (E_RNA)
where:
Base-Base interactions energy: -1463.138
where: short stacking energy: -609.171
Base-Backbone interact. energy: -1.812
local terms energy: -673.937542
where:
bonds (distance) C4'-P energy: -116.818
bonds (distance) P-C4' energy: -130.988
flat angles C4'-P-C4' energy: -157.734
flat angles P-C4'-P energy: -92.721
tors. eta vs tors. theta energy: -175.676
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: 326
Temperature: 1.050000
Total energy: -1996.896678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.896678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.896678 (E_RNA)
where:
Base-Base interactions energy: -1341.446
where: short stacking energy: -610.601
Base-Backbone interact. energy: -1.532
local terms energy: -653.917880
where:
bonds (distance) C4'-P energy: -131.754
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -147.781
flat angles P-C4'-P energy: -85.722
tors. eta vs tors. theta energy: -175.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1990.229692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.229692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.229692 (E_RNA)
where:
Base-Base interactions energy: -1346.900
where: short stacking energy: -568.630
Base-Backbone interact. energy: -0.284
local terms energy: -643.045789
where:
bonds (distance) C4'-P energy: -126.083
bonds (distance) P-C4' energy: -121.751
flat angles C4'-P-C4' energy: -146.636
flat angles P-C4'-P energy: -95.447
tors. eta vs tors. theta energy: -153.129
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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1845.454938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.454938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.454938 (E_RNA)
where:
Base-Base interactions energy: -1264.213
where: short stacking energy: -545.801
Base-Backbone interact. energy: -1.967
local terms energy: -579.274532
where:
bonds (distance) C4'-P energy: -83.662
bonds (distance) P-C4' energy: -128.852
flat angles C4'-P-C4' energy: -129.748
flat angles P-C4'-P energy: -76.071
tors. eta vs tors. theta energy: -160.942
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1529.468200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.468200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.468200 (E_RNA)
where:
Base-Base interactions energy: -993.860
where: short stacking energy: -455.433
Base-Backbone interact. energy: 3.061
local terms energy: -538.669170
where:
bonds (distance) C4'-P energy: -106.462
bonds (distance) P-C4' energy: -119.677
flat angles C4'-P-C4' energy: -122.605
flat angles P-C4'-P energy: -81.110
tors. eta vs tors. theta energy: -108.815
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: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1055.762488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.762488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.762488 (E_RNA)
where:
Base-Base interactions energy: -633.437
where: short stacking energy: -311.062
Base-Backbone interact. energy: 3.555
local terms energy: -425.880833
where:
bonds (distance) C4'-P energy: -89.664
bonds (distance) P-C4' energy: -117.217
flat angles C4'-P-C4' energy: -107.120
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: -50.155
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: 326
Temperature: 1.300000
Total energy: -812.443056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.443056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.443056 (E_RNA)
where:
Base-Base interactions energy: -411.882
where: short stacking energy: -232.272
Base-Backbone interact. energy: 0.842
local terms energy: -401.403398
where:
bonds (distance) C4'-P energy: -116.991
bonds (distance) P-C4' energy: -104.178
flat angles C4'-P-C4' energy: -105.705
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -689.934771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.934771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.934771 (E_RNA)
where:
Base-Base interactions energy: -346.626
where: short stacking energy: -204.939
Base-Backbone interact. energy: -0.062
local terms energy: -343.245779
where:
bonds (distance) C4'-P energy: -92.443
bonds (distance) P-C4' energy: -110.298
flat angles C4'-P-C4' energy: -99.428
flat angles P-C4'-P energy: -52.521
tors. eta vs tors. theta energy: 11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2347.360120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.360120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.360120 (E_RNA)
where:
Base-Base interactions energy: -1633.619
where: short stacking energy: -662.190
Base-Backbone interact. energy: -5.236
local terms energy: -708.505062
where:
bonds (distance) C4'-P energy: -134.317
bonds (distance) P-C4' energy: -135.803
flat angles C4'-P-C4' energy: -152.173
flat angles P-C4'-P energy: -104.957
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: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2242.903899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.903899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.903899 (E_RNA)
where:
Base-Base interactions energy: -1594.715
where: short stacking energy: -644.311
Base-Backbone interact. energy: -1.994
local terms energy: -646.194946
where:
bonds (distance) C4'-P energy: -122.175
bonds (distance) P-C4' energy: -115.472
flat angles C4'-P-C4' energy: -141.983
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -181.047
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: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2172.220171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.220171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.220171 (E_RNA)
where:
Base-Base interactions energy: -1506.668
where: short stacking energy: -656.349
Base-Backbone interact. energy: -0.388
local terms energy: -665.164716
where:
bonds (distance) C4'-P energy: -110.437
bonds (distance) P-C4' energy: -121.936
flat angles C4'-P-C4' energy: -142.331
flat angles P-C4'-P energy: -97.703
tors. eta vs tors. theta energy: -192.758
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: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2019.701589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.701589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.701589 (E_RNA)
where:
Base-Base interactions energy: -1361.783
where: short stacking energy: -623.578
Base-Backbone interact. energy: -0.774
local terms energy: -657.144904
where:
bonds (distance) C4'-P energy: -110.660
bonds (distance) P-C4' energy: -126.806
flat angles C4'-P-C4' energy: -143.309
flat angles P-C4'-P energy: -87.889
tors. eta vs tors. theta energy: -188.481
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: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1991.349883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.349883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.349883 (E_RNA)
where:
Base-Base interactions energy: -1364.074
where: short stacking energy: -545.828
Base-Backbone interact. energy: -2.059
local terms energy: -625.216992
where:
bonds (distance) C4'-P energy: -118.365
bonds (distance) P-C4' energy: -115.465
flat angles C4'-P-C4' energy: -146.075
flat angles P-C4'-P energy: -100.031
tors. eta vs tors. theta energy: -145.280
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: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1812.655676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.655676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.655676 (E_RNA)
where:
Base-Base interactions energy: -1213.184
where: short stacking energy: -543.545
Base-Backbone interact. energy: -1.199
local terms energy: -598.272994
where:
bonds (distance) C4'-P energy: -115.468
bonds (distance) P-C4' energy: -120.792
flat angles C4'-P-C4' energy: -122.537
flat angles P-C4'-P energy: -91.256
tors. eta vs tors. theta energy: -148.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1604.938507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.938507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.938507 (E_RNA)
where:
Base-Base interactions energy: -1069.669
where: short stacking energy: -445.386
Base-Backbone interact. energy: 3.273
local terms energy: -538.542627
where:
bonds (distance) C4'-P energy: -112.790
bonds (distance) P-C4' energy: -112.476
flat angles C4'-P-C4' energy: -121.540
flat angles P-C4'-P energy: -68.439
tors. eta vs tors. theta energy: -123.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1068.803254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.803254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.803254 (E_RNA)
where:
Base-Base interactions energy: -655.767
where: short stacking energy: -328.116
Base-Backbone interact. energy: -0.543
local terms energy: -412.493384
where:
bonds (distance) C4'-P energy: -120.275
bonds (distance) P-C4' energy: -101.155
flat angles C4'-P-C4' energy: -103.527
flat angles P-C4'-P energy: -44.926
tors. eta vs tors. theta energy: -42.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -781.783259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.783259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.783259 (E_RNA)
where:
Base-Base interactions energy: -419.044
where: short stacking energy: -230.789
Base-Backbone interact. energy: 4.050
local terms energy: -366.789277
where:
bonds (distance) C4'-P energy: -100.402
bonds (distance) P-C4' energy: -112.023
flat angles C4'-P-C4' energy: -81.930
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -12.589
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: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -718.339988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.339988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.339988 (E_RNA)
where:
Base-Base interactions energy: -357.530
where: short stacking energy: -221.493
Base-Backbone interact. energy: -1.466
local terms energy: -359.343692
where:
bonds (distance) C4'-P energy: -108.546
bonds (distance) P-C4' energy: -106.126
flat angles C4'-P-C4' energy: -88.364
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -22.163
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: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2370.863440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.863440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.863440 (E_RNA)
where:
Base-Base interactions energy: -1670.015
where: short stacking energy: -699.106
Base-Backbone interact. energy: -3.453
local terms energy: -697.394842
where:
bonds (distance) C4'-P energy: -120.228
bonds (distance) P-C4' energy: -134.365
flat angles C4'-P-C4' energy: -155.357
flat angles P-C4'-P energy: -95.588
tors. eta vs tors. theta energy: -191.857
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: 328
Temperature: 0.950000
Total energy: -2252.374231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.374231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.374231 (E_RNA)
where:
Base-Base interactions energy: -1584.551
where: short stacking energy: -654.999
Base-Backbone interact. energy: -2.367
local terms energy: -665.456058
where:
bonds (distance) C4'-P energy: -113.163
bonds (distance) P-C4' energy: -116.706
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -108.008
tors. eta vs tors. theta energy: -180.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2174.732172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.732172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.732172 (E_RNA)
where:
Base-Base interactions energy: -1495.171
where: short stacking energy: -628.143
Base-Backbone interact. energy: -0.158
local terms energy: -679.403538
where:
bonds (distance) C4'-P energy: -133.736
bonds (distance) P-C4' energy: -121.014
flat angles C4'-P-C4' energy: -150.316
flat angles P-C4'-P energy: -88.897
tors. eta vs tors. theta energy: -185.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2013.393955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.393955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.393955 (E_RNA)
where:
Base-Base interactions energy: -1341.785
where: short stacking energy: -596.264
Base-Backbone interact. energy: -5.344
local terms energy: -666.265384
where:
bonds (distance) C4'-P energy: -125.275
bonds (distance) P-C4' energy: -133.808
flat angles C4'-P-C4' energy: -144.449
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -174.003
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: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2059.876304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.876304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.876304 (E_RNA)
where:
Base-Base interactions energy: -1382.890
where: short stacking energy: -615.175
Base-Backbone interact. energy: -1.284
local terms energy: -675.702093
where:
bonds (distance) C4'-P energy: -122.149
bonds (distance) P-C4' energy: -141.437
flat angles C4'-P-C4' energy: -143.099
flat angles P-C4'-P energy: -89.716
tors. eta vs tors. theta energy: -179.302
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: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1836.729747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.729747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.729747 (E_RNA)
where:
Base-Base interactions energy: -1233.045
where: short stacking energy: -558.762
Base-Backbone interact. energy: -0.280
local terms energy: -603.404637
where:
bonds (distance) C4'-P energy: -120.277
bonds (distance) P-C4' energy: -103.971
flat angles C4'-P-C4' energy: -135.957
flat angles P-C4'-P energy: -79.502
tors. eta vs tors. theta energy: -163.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1540.990188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.990188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.990188 (E_RNA)
where:
Base-Base interactions energy: -998.343
where: short stacking energy: -435.928
Base-Backbone interact. energy: 1.440
local terms energy: -544.087504
where:
bonds (distance) C4'-P energy: -118.150
bonds (distance) P-C4' energy: -123.876
flat angles C4'-P-C4' energy: -136.314
flat angles P-C4'-P energy: -79.914
tors. eta vs tors. theta energy: -85.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1063.189328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.189328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.189328 (E_RNA)
where:
Base-Base interactions energy: -617.059
where: short stacking energy: -316.273
Base-Backbone interact. energy: -3.130
local terms energy: -442.999891
where:
bonds (distance) C4'-P energy: -113.867
bonds (distance) P-C4' energy: -114.089
flat angles C4'-P-C4' energy: -104.586
flat angles P-C4'-P energy: -64.750
tors. eta vs tors. theta energy: -45.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -763.795761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.795761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.795761 (E_RNA)
where:
Base-Base interactions energy: -401.435
where: short stacking energy: -235.629
Base-Backbone interact. energy: -0.398
local terms energy: -361.962867
where:
bonds (distance) C4'-P energy: -97.329
bonds (distance) P-C4' energy: -101.263
flat angles C4'-P-C4' energy: -95.767
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -720.505412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.505412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.505412 (E_RNA)
where:
Base-Base interactions energy: -371.929
where: short stacking energy: -207.204
Base-Backbone interact. energy: 5.888
local terms energy: -354.464187
where:
bonds (distance) C4'-P energy: -96.791
bonds (distance) P-C4' energy: -97.329
flat angles C4'-P-C4' energy: -94.621
flat angles P-C4'-P energy: -64.898
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2370.982538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.982538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.982538 (E_RNA)
where:
Base-Base interactions energy: -1690.883
where: short stacking energy: -682.982
Base-Backbone interact. energy: -0.753
local terms energy: -679.346800
where:
bonds (distance) C4'-P energy: -133.103
bonds (distance) P-C4' energy: -123.584
flat angles C4'-P-C4' energy: -148.027
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -188.109
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: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2246.958619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.958619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.958619 (E_RNA)
where:
Base-Base interactions energy: -1565.942
where: short stacking energy: -650.712
Base-Backbone interact. energy: -2.120
local terms energy: -678.896350
where:
bonds (distance) C4'-P energy: -125.070
bonds (distance) P-C4' energy: -138.153
flat angles C4'-P-C4' energy: -143.065
flat angles P-C4'-P energy: -87.500
tors. eta vs tors. theta energy: -185.110
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: 329
Temperature: 1.000000
Total energy: -2146.989941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.989941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.989941 (E_RNA)
where:
Base-Base interactions energy: -1494.491
where: short stacking energy: -618.849
Base-Backbone interact. energy: -2.251
local terms energy: -650.248196
where:
bonds (distance) C4'-P energy: -109.280
bonds (distance) P-C4' energy: -118.646
flat angles C4'-P-C4' energy: -142.314
flat angles P-C4'-P energy: -93.041
tors. eta vs tors. theta energy: -186.967
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: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2099.488556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.488556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.488556 (E_RNA)
where:
Base-Base interactions energy: -1456.100
where: short stacking energy: -616.186
Base-Backbone interact. energy: -1.573
local terms energy: -641.815396
where:
bonds (distance) C4'-P energy: -127.030
bonds (distance) P-C4' energy: -113.205
flat angles C4'-P-C4' energy: -137.515
flat angles P-C4'-P energy: -99.796
tors. eta vs tors. theta energy: -164.269
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: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1928.821938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.821938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.821938 (E_RNA)
where:
Base-Base interactions energy: -1318.397
where: short stacking energy: -583.664
Base-Backbone interact. energy: -0.192
local terms energy: -610.233022
where:
bonds (distance) C4'-P energy: -124.179
bonds (distance) P-C4' energy: -112.866
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -83.407
tors. eta vs tors. theta energy: -161.922
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: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1866.862038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.862038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.862038 (E_RNA)
where:
Base-Base interactions energy: -1287.774
where: short stacking energy: -564.205
Base-Backbone interact. energy: -1.936
local terms energy: -577.152187
where:
bonds (distance) C4'-P energy: -103.512
bonds (distance) P-C4' energy: -116.211
flat angles C4'-P-C4' energy: -126.844
flat angles P-C4'-P energy: -68.214
tors. eta vs tors. theta energy: -162.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1544.062637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.062637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.062637 (E_RNA)
where:
Base-Base interactions energy: -1022.421
where: short stacking energy: -452.125
Base-Backbone interact. energy: 1.069
local terms energy: -522.710847
where:
bonds (distance) C4'-P energy: -103.339
bonds (distance) P-C4' energy: -102.490
flat angles C4'-P-C4' energy: -122.975
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -103.651
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: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1072.705394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.705394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.705394 (E_RNA)
where:
Base-Base interactions energy: -615.922
where: short stacking energy: -304.205
Base-Backbone interact. energy: -3.189
local terms energy: -453.594648
where:
bonds (distance) C4'-P energy: -106.383
bonds (distance) P-C4' energy: -122.090
flat angles C4'-P-C4' energy: -118.665
flat angles P-C4'-P energy: -66.621
tors. eta vs tors. theta energy: -39.835
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: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -775.161161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.161161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.161161 (E_RNA)
where:
Base-Base interactions energy: -388.788
where: short stacking energy: -242.047
Base-Backbone interact. energy: 3.012
local terms energy: -389.384729
where:
bonds (distance) C4'-P energy: -89.903
bonds (distance) P-C4' energy: -106.550
flat angles C4'-P-C4' energy: -106.522
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -779.551009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.551009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.551009 (E_RNA)
where:
Base-Base interactions energy: -416.198
where: short stacking energy: -230.851
Base-Backbone interact. energy: -3.507
local terms energy: -359.846724
where:
bonds (distance) C4'-P energy: -90.031
bonds (distance) P-C4' energy: -121.099
flat angles C4'-P-C4' energy: -75.264
flat angles P-C4'-P energy: -58.187
tors. eta vs tors. theta energy: -15.265
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: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2373.970849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.970849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.970849 (E_RNA)
where:
Base-Base interactions energy: -1660.816
where: short stacking energy: -686.347
Base-Backbone interact. energy: -1.171
local terms energy: -711.983681
where:
bonds (distance) C4'-P energy: -138.442
bonds (distance) P-C4' energy: -130.110
flat angles C4'-P-C4' energy: -143.773
flat angles P-C4'-P energy: -110.275
tors. eta vs tors. theta energy: -189.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2236.685748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.685748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.685748 (E_RNA)
where:
Base-Base interactions energy: -1560.245
where: short stacking energy: -625.805
Base-Backbone interact. energy: -0.362
local terms energy: -676.078769
where:
bonds (distance) C4'-P energy: -124.282
bonds (distance) P-C4' energy: -138.526
flat angles C4'-P-C4' energy: -151.682
flat angles P-C4'-P energy: -85.581
tors. eta vs tors. theta energy: -176.007
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: 330
Temperature: 1.000000
Total energy: -2164.541291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.541291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.541291 (E_RNA)
where:
Base-Base interactions energy: -1503.057
where: short stacking energy: -652.731
Base-Backbone interact. energy: -0.629
local terms energy: -660.855812
where:
bonds (distance) C4'-P energy: -125.374
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -142.603
flat angles P-C4'-P energy: -87.992
tors. eta vs tors. theta energy: -190.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2099.935450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.935450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.935450 (E_RNA)
where:
Base-Base interactions energy: -1432.266
where: short stacking energy: -621.982
Base-Backbone interact. energy: -1.330
local terms energy: -666.340294
where:
bonds (distance) C4'-P energy: -117.911
bonds (distance) P-C4' energy: -118.803
flat angles C4'-P-C4' energy: -146.549
flat angles P-C4'-P energy: -91.625
tors. eta vs tors. theta energy: -191.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1957.018283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.018283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.018283 (E_RNA)
where:
Base-Base interactions energy: -1308.833
where: short stacking energy: -577.578
Base-Backbone interact. energy: -0.918
local terms energy: -647.267295
where:
bonds (distance) C4'-P energy: -129.843
bonds (distance) P-C4' energy: -146.264
flat angles C4'-P-C4' energy: -122.898
flat angles P-C4'-P energy: -78.013
tors. eta vs tors. theta energy: -170.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1942.955983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.955983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.955983 (E_RNA)
where:
Base-Base interactions energy: -1319.882
where: short stacking energy: -601.197
Base-Backbone interact. energy: -0.879
local terms energy: -622.194355
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -110.882
flat angles C4'-P-C4' energy: -135.242
flat angles P-C4'-P energy: -84.062
tors. eta vs tors. theta energy: -181.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1510.877094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.877094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.877094 (E_RNA)
where:
Base-Base interactions energy: -1004.357
where: short stacking energy: -434.819
Base-Backbone interact. energy: 5.246
local terms energy: -511.765765
where:
bonds (distance) C4'-P energy: -104.117
bonds (distance) P-C4' energy: -124.822
flat angles C4'-P-C4' energy: -120.888
flat angles P-C4'-P energy: -74.945
tors. eta vs tors. theta energy: -86.994
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: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1101.724241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.724241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.724241 (E_RNA)
where:
Base-Base interactions energy: -668.421
where: short stacking energy: -341.070
Base-Backbone interact. energy: -0.528
local terms energy: -432.775041
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -97.540
flat angles C4'-P-C4' energy: -117.161
flat angles P-C4'-P energy: -55.272
tors. eta vs tors. theta energy: -68.378
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: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -673.284512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.284512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.284512 (E_RNA)
where:
Base-Base interactions energy: -318.267
where: short stacking energy: -185.735
Base-Backbone interact. energy: -0.379
local terms energy: -354.638873
where:
bonds (distance) C4'-P energy: -105.471
bonds (distance) P-C4' energy: -94.518
flat angles C4'-P-C4' energy: -94.143
flat angles P-C4'-P energy: -66.483
tors. eta vs tors. theta energy: 5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -650.982399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.982399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.982399 (E_RNA)
where:
Base-Base interactions energy: -308.788
where: short stacking energy: -201.683
Base-Backbone interact. energy: 1.399
local terms energy: -343.593719
where:
bonds (distance) C4'-P energy: -110.737
bonds (distance) P-C4' energy: -101.727
flat angles C4'-P-C4' energy: -92.994
flat angles P-C4'-P energy: -70.251
tors. eta vs tors. theta energy: 32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2372.257785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.257785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.257785 (E_RNA)
where:
Base-Base interactions energy: -1684.594
where: short stacking energy: -677.895
Base-Backbone interact. energy: 0.005
local terms energy: -687.669347
where:
bonds (distance) C4'-P energy: -118.741
bonds (distance) P-C4' energy: -125.187
flat angles C4'-P-C4' energy: -143.099
flat angles P-C4'-P energy: -114.383
tors. eta vs tors. theta energy: -186.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2214.543791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.543791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.543791 (E_RNA)
where:
Base-Base interactions energy: -1535.558
where: short stacking energy: -641.299
Base-Backbone interact. energy: -1.580
local terms energy: -677.405721
where:
bonds (distance) C4'-P energy: -116.686
bonds (distance) P-C4' energy: -124.963
flat angles C4'-P-C4' energy: -144.389
flat angles P-C4'-P energy: -91.810
tors. eta vs tors. theta energy: -199.557
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2196.308139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.308139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.308139 (E_RNA)
where:
Base-Base interactions energy: -1529.774
where: short stacking energy: -634.736
Base-Backbone interact. energy: -0.963
local terms energy: -665.570853
where:
bonds (distance) C4'-P energy: -128.068
bonds (distance) P-C4' energy: -131.378
flat angles C4'-P-C4' energy: -137.437
flat angles P-C4'-P energy: -94.134
tors. eta vs tors. theta energy: -174.554
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: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2077.305317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.305317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.305317 (E_RNA)
where:
Base-Base interactions energy: -1423.701
where: short stacking energy: -655.459
Base-Backbone interact. energy: 0.571
local terms energy: -654.175961
where:
bonds (distance) C4'-P energy: -112.488
bonds (distance) P-C4' energy: -122.062
flat angles C4'-P-C4' energy: -135.880
flat angles P-C4'-P energy: -99.474
tors. eta vs tors. theta energy: -184.272
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: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1952.513547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.513547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.513547 (E_RNA)
where:
Base-Base interactions energy: -1325.162
where: short stacking energy: -564.066
Base-Backbone interact. energy: -1.386
local terms energy: -625.966073
where:
bonds (distance) C4'-P energy: -99.049
bonds (distance) P-C4' energy: -130.642
flat angles C4'-P-C4' energy: -138.479
flat angles P-C4'-P energy: -98.358
tors. eta vs tors. theta energy: -159.438
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: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1887.202772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.202772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.202772 (E_RNA)
where:
Base-Base interactions energy: -1274.486
where: short stacking energy: -572.744
Base-Backbone interact. energy: -2.263
local terms energy: -610.453746
where:
bonds (distance) C4'-P energy: -95.176
bonds (distance) P-C4' energy: -126.401
flat angles C4'-P-C4' energy: -131.079
flat angles P-C4'-P energy: -82.051
tors. eta vs tors. theta energy: -175.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1471.555993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.555993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.555993 (E_RNA)
where:
Base-Base interactions energy: -989.598
where: short stacking energy: -442.859
Base-Backbone interact. energy: 3.622
local terms energy: -485.579711
where:
bonds (distance) C4'-P energy: -109.490
bonds (distance) P-C4' energy: -107.040
flat angles C4'-P-C4' energy: -121.528
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -92.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1128.063283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.063283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.063283 (E_RNA)
where:
Base-Base interactions energy: -654.059
where: short stacking energy: -318.669
Base-Backbone interact. energy: -2.743
local terms energy: -471.260861
where:
bonds (distance) C4'-P energy: -102.419
bonds (distance) P-C4' energy: -121.965
flat angles C4'-P-C4' energy: -113.615
flat angles P-C4'-P energy: -59.912
tors. eta vs tors. theta energy: -73.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -708.616104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.616104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.616104 (E_RNA)
where:
Base-Base interactions energy: -338.229
where: short stacking energy: -196.205
Base-Backbone interact. energy: -2.058
local terms energy: -368.329219
where:
bonds (distance) C4'-P energy: -122.619
bonds (distance) P-C4' energy: -105.565
flat angles C4'-P-C4' energy: -82.043
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: 3.372
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: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -629.389367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.389367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.389367 (E_RNA)
where:
Base-Base interactions energy: -284.433
where: short stacking energy: -174.524
Base-Backbone interact. energy: 2.578
local terms energy: -347.534022
where:
bonds (distance) C4'-P energy: -104.512
bonds (distance) P-C4' energy: -95.147
flat angles C4'-P-C4' energy: -89.098
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2364.068058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.068058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.068058 (E_RNA)
where:
Base-Base interactions energy: -1665.201
where: short stacking energy: -659.383
Base-Backbone interact. energy: -4.735
local terms energy: -694.131396
where:
bonds (distance) C4'-P energy: -136.119
bonds (distance) P-C4' energy: -125.948
flat angles C4'-P-C4' energy: -145.667
flat angles P-C4'-P energy: -113.784
tors. eta vs tors. theta energy: -172.614
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: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2190.684059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.684059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.684059 (E_RNA)
where:
Base-Base interactions energy: -1522.644
where: short stacking energy: -637.634
Base-Backbone interact. energy: -1.362
local terms energy: -666.677562
where:
bonds (distance) C4'-P energy: -114.026
bonds (distance) P-C4' energy: -128.535
flat angles C4'-P-C4' energy: -133.084
flat angles P-C4'-P energy: -99.113
tors. eta vs tors. theta energy: -191.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2189.921642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.921642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.921642 (E_RNA)
where:
Base-Base interactions energy: -1506.013
where: short stacking energy: -618.302
Base-Backbone interact. energy: -6.990
local terms energy: -676.918651
where:
bonds (distance) C4'-P energy: -129.934
bonds (distance) P-C4' energy: -131.068
flat angles C4'-P-C4' energy: -142.837
flat angles P-C4'-P energy: -94.193
tors. eta vs tors. theta energy: -178.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2063.628946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.628946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.628946 (E_RNA)
where:
Base-Base interactions energy: -1406.988
where: short stacking energy: -636.680
Base-Backbone interact. energy: -3.619
local terms energy: -653.022241
where:
bonds (distance) C4'-P energy: -101.291
bonds (distance) P-C4' energy: -133.813
flat angles C4'-P-C4' energy: -145.108
flat angles P-C4'-P energy: -79.646
tors. eta vs tors. theta energy: -193.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1924.018095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.018095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.018095 (E_RNA)
where:
Base-Base interactions energy: -1292.053
where: short stacking energy: -571.949
Base-Backbone interact. energy: -2.985
local terms energy: -628.979784
where:
bonds (distance) C4'-P energy: -122.417
bonds (distance) P-C4' energy: -125.799
flat angles C4'-P-C4' energy: -127.822
flat angles P-C4'-P energy: -84.698
tors. eta vs tors. theta energy: -168.244
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1871.345800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.345800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.345800 (E_RNA)
where:
Base-Base interactions energy: -1278.282
where: short stacking energy: -580.527
Base-Backbone interact. energy: 0.452
local terms energy: -593.515324
where:
bonds (distance) C4'-P energy: -113.021
bonds (distance) P-C4' energy: -109.348
flat angles C4'-P-C4' energy: -123.684
flat angles P-C4'-P energy: -84.738
tors. eta vs tors. theta energy: -162.725
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: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1480.219748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.219748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.219748 (E_RNA)
where:
Base-Base interactions energy: -959.373
where: short stacking energy: -441.286
Base-Backbone interact. energy: -0.241
local terms energy: -520.605773
where:
bonds (distance) C4'-P energy: -101.995
bonds (distance) P-C4' energy: -122.750
flat angles C4'-P-C4' energy: -114.073
flat angles P-C4'-P energy: -78.044
tors. eta vs tors. theta energy: -103.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1088.618823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.618823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.618823 (E_RNA)
where:
Base-Base interactions energy: -635.408
where: short stacking energy: -303.838
Base-Backbone interact. energy: -0.369
local terms energy: -452.842168
where:
bonds (distance) C4'-P energy: -95.687
bonds (distance) P-C4' energy: -122.075
flat angles C4'-P-C4' energy: -108.325
flat angles P-C4'-P energy: -82.055
tors. eta vs tors. theta energy: -44.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -745.228265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.228265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.228265 (E_RNA)
where:
Base-Base interactions energy: -368.306
where: short stacking energy: -207.654
Base-Backbone interact. energy: 6.244
local terms energy: -383.165907
where:
bonds (distance) C4'-P energy: -107.097
bonds (distance) P-C4' energy: -123.204
flat angles C4'-P-C4' energy: -93.985
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: 11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -678.452782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.452782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.452782 (E_RNA)
where:
Base-Base interactions energy: -356.734
where: short stacking energy: -189.938
Base-Backbone interact. energy: -1.582
local terms energy: -320.136029
where:
bonds (distance) C4'-P energy: -100.288
bonds (distance) P-C4' energy: -97.027
flat angles C4'-P-C4' energy: -87.625
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: 12.273
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: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2360.123073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.123073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.123073 (E_RNA)
where:
Base-Base interactions energy: -1684.044
where: short stacking energy: -660.353
Base-Backbone interact. energy: 2.633
local terms energy: -678.711887
where:
bonds (distance) C4'-P energy: -119.137
bonds (distance) P-C4' energy: -138.964
flat angles C4'-P-C4' energy: -149.238
flat angles P-C4'-P energy: -97.473
tors. eta vs tors. theta energy: -173.900
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: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2274.767061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.767061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.767061 (E_RNA)
where:
Base-Base interactions energy: -1588.534
where: short stacking energy: -664.741
Base-Backbone interact. energy: -4.363
local terms energy: -681.870308
where:
bonds (distance) C4'-P energy: -124.744
bonds (distance) P-C4' energy: -130.711
flat angles C4'-P-C4' energy: -143.943
flat angles P-C4'-P energy: -96.252
tors. eta vs tors. theta energy: -186.220
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: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2159.689811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.689811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.689811 (E_RNA)
where:
Base-Base interactions energy: -1473.206
where: short stacking energy: -620.442
Base-Backbone interact. energy: -2.097
local terms energy: -684.387181
where:
bonds (distance) C4'-P energy: -127.080
bonds (distance) P-C4' energy: -133.803
flat angles C4'-P-C4' energy: -147.227
flat angles P-C4'-P energy: -86.808
tors. eta vs tors. theta energy: -189.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2034.045063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.045063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.045063 (E_RNA)
where:
Base-Base interactions energy: -1391.034
where: short stacking energy: -609.514
Base-Backbone interact. energy: -1.382
local terms energy: -641.629627
where:
bonds (distance) C4'-P energy: -122.389
bonds (distance) P-C4' energy: -118.180
flat angles C4'-P-C4' energy: -135.493
flat angles P-C4'-P energy: -92.626
tors. eta vs tors. theta energy: -172.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1936.214068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.214068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.214068 (E_RNA)
where:
Base-Base interactions energy: -1299.049
where: short stacking energy: -581.958
Base-Backbone interact. energy: 0.078
local terms energy: -637.242996
where:
bonds (distance) C4'-P energy: -124.651
bonds (distance) P-C4' energy: -124.742
flat angles C4'-P-C4' energy: -135.099
flat angles P-C4'-P energy: -87.426
tors. eta vs tors. theta energy: -165.324
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: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1878.021537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.021537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.021537 (E_RNA)
where:
Base-Base interactions energy: -1269.692
where: short stacking energy: -580.942
Base-Backbone interact. energy: 1.627
local terms energy: -609.956624
where:
bonds (distance) C4'-P energy: -106.948
bonds (distance) P-C4' energy: -117.541
flat angles C4'-P-C4' energy: -140.638
flat angles P-C4'-P energy: -78.649
tors. eta vs tors. theta energy: -166.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1483.365161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.365161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.365161 (E_RNA)
where:
Base-Base interactions energy: -948.493
where: short stacking energy: -435.044
Base-Backbone interact. energy: -1.666
local terms energy: -533.206366
where:
bonds (distance) C4'-P energy: -123.991
bonds (distance) P-C4' energy: -104.449
flat angles C4'-P-C4' energy: -118.293
flat angles P-C4'-P energy: -78.809
tors. eta vs tors. theta energy: -107.664
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: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1141.440645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.440645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.440645 (E_RNA)
where:
Base-Base interactions energy: -703.574
where: short stacking energy: -364.781
Base-Backbone interact. energy: -0.034
local terms energy: -437.832991
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -89.096
flat angles C4'-P-C4' energy: -110.420
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: -67.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -698.429803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.429803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.429803 (E_RNA)
where:
Base-Base interactions energy: -303.929
where: short stacking energy: -200.917
Base-Backbone interact. energy: 1.811
local terms energy: -396.311737
where:
bonds (distance) C4'-P energy: -112.292
bonds (distance) P-C4' energy: -108.031
flat angles C4'-P-C4' energy: -103.787
flat angles P-C4'-P energy: -52.155
tors. eta vs tors. theta energy: -20.046
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: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -665.675958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.675958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.675958 (E_RNA)
where:
Base-Base interactions energy: -327.774
where: short stacking energy: -171.471
Base-Backbone interact. energy: -1.239
local terms energy: -336.662589
where:
bonds (distance) C4'-P energy: -100.305
bonds (distance) P-C4' energy: -112.152
flat angles C4'-P-C4' energy: -93.633
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: 16.056
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: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2391.039979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.039979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.039979 (E_RNA)
where:
Base-Base interactions energy: -1685.449
where: short stacking energy: -678.724
Base-Backbone interact. energy: -0.919
local terms energy: -704.671743
where:
bonds (distance) C4'-P energy: -137.867
bonds (distance) P-C4' energy: -127.795
flat angles C4'-P-C4' energy: -152.211
flat angles P-C4'-P energy: -104.504
tors. eta vs tors. theta energy: -182.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2318.343095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.343095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.343095 (E_RNA)
where:
Base-Base interactions energy: -1631.325
where: short stacking energy: -650.817
Base-Backbone interact. energy: -1.648
local terms energy: -685.370174
where:
bonds (distance) C4'-P energy: -128.565
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -150.136
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -189.160
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: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2147.904161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.904161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.904161 (E_RNA)
where:
Base-Base interactions energy: -1490.214
where: short stacking energy: -606.728
Base-Backbone interact. energy: -4.580
local terms energy: -653.110581
where:
bonds (distance) C4'-P energy: -123.556
bonds (distance) P-C4' energy: -119.820
flat angles C4'-P-C4' energy: -141.164
flat angles P-C4'-P energy: -96.547
tors. eta vs tors. theta energy: -172.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2071.405349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.405349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.405349 (E_RNA)
where:
Base-Base interactions energy: -1407.806
where: short stacking energy: -608.576
Base-Backbone interact. energy: -2.533
local terms energy: -661.066364
where:
bonds (distance) C4'-P energy: -133.764
bonds (distance) P-C4' energy: -121.892
flat angles C4'-P-C4' energy: -143.873
flat angles P-C4'-P energy: -92.311
tors. eta vs tors. theta energy: -169.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1911.128106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.128106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.128106 (E_RNA)
where:
Base-Base interactions energy: -1268.888
where: short stacking energy: -584.496
Base-Backbone interact. energy: -1.735
local terms energy: -640.505379
where:
bonds (distance) C4'-P energy: -118.935
bonds (distance) P-C4' energy: -123.189
flat angles C4'-P-C4' energy: -135.052
flat angles P-C4'-P energy: -86.027
tors. eta vs tors. theta energy: -177.303
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: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1879.181526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.181526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.181526 (E_RNA)
where:
Base-Base interactions energy: -1254.955
where: short stacking energy: -549.486
Base-Backbone interact. energy: -1.525
local terms energy: -622.702020
where:
bonds (distance) C4'-P energy: -127.822
bonds (distance) P-C4' energy: -129.790
flat angles C4'-P-C4' energy: -135.324
flat angles P-C4'-P energy: -77.371
tors. eta vs tors. theta energy: -152.395
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1474.685430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.685430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.685430 (E_RNA)
where:
Base-Base interactions energy: -940.259
where: short stacking energy: -415.430
Base-Backbone interact. energy: -1.961
local terms energy: -532.465637
where:
bonds (distance) C4'-P energy: -116.079
bonds (distance) P-C4' energy: -112.272
flat angles C4'-P-C4' energy: -122.630
flat angles P-C4'-P energy: -84.513
tors. eta vs tors. theta energy: -96.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1223.032452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.032452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.032452 (E_RNA)
where:
Base-Base interactions energy: -735.406
where: short stacking energy: -358.716
Base-Backbone interact. energy: 0.763
local terms energy: -488.389372
where:
bonds (distance) C4'-P energy: -118.597
bonds (distance) P-C4' energy: -109.364
flat angles C4'-P-C4' energy: -130.588
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -68.055
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: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -805.622676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.622676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.622676 (E_RNA)
where:
Base-Base interactions energy: -434.857
where: short stacking energy: -246.264
Base-Backbone interact. energy: -1.083
local terms energy: -369.681959
where:
bonds (distance) C4'-P energy: -103.932
bonds (distance) P-C4' energy: -104.720
flat angles C4'-P-C4' energy: -84.722
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -656.160789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.160789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.160789 (E_RNA)
where:
Base-Base interactions energy: -307.702
where: short stacking energy: -195.824
Base-Backbone interact. energy: 0.309
local terms energy: -348.767811
where:
bonds (distance) C4'-P energy: -94.369
bonds (distance) P-C4' energy: -100.864
flat angles C4'-P-C4' energy: -100.118
flat angles P-C4'-P energy: -57.127
tors. eta vs tors. theta energy: 3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2384.618949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.618949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.618949 (E_RNA)
where:
Base-Base interactions energy: -1679.809
where: short stacking energy: -686.389
Base-Backbone interact. energy: -8.392
local terms energy: -696.417652
where:
bonds (distance) C4'-P energy: -125.795
bonds (distance) P-C4' energy: -130.480
flat angles C4'-P-C4' energy: -158.301
flat angles P-C4'-P energy: -94.682
tors. eta vs tors. theta energy: -187.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2284.356954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.356954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.356954 (E_RNA)
where:
Base-Base interactions energy: -1604.715
where: short stacking energy: -639.705
Base-Backbone interact. energy: -4.149
local terms energy: -675.492775
where:
bonds (distance) C4'-P energy: -144.683
bonds (distance) P-C4' energy: -115.784
flat angles C4'-P-C4' energy: -144.393
flat angles P-C4'-P energy: -82.960
tors. eta vs tors. theta energy: -187.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2154.710337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.710337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.710337 (E_RNA)
where:
Base-Base interactions energy: -1493.249
where: short stacking energy: -631.913
Base-Backbone interact. energy: -4.394
local terms energy: -657.067411
where:
bonds (distance) C4'-P energy: -119.793
bonds (distance) P-C4' energy: -118.346
flat angles C4'-P-C4' energy: -151.989
flat angles P-C4'-P energy: -93.700
tors. eta vs tors. theta energy: -173.240
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2043.850453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.850453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.850453 (E_RNA)
where:
Base-Base interactions energy: -1377.877
where: short stacking energy: -591.748
Base-Backbone interact. energy: -4.079
local terms energy: -661.894532
where:
bonds (distance) C4'-P energy: -133.357
bonds (distance) P-C4' energy: -125.028
flat angles C4'-P-C4' energy: -138.541
flat angles P-C4'-P energy: -95.842
tors. eta vs tors. theta energy: -169.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1931.831402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.831402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.831402 (E_RNA)
where:
Base-Base interactions energy: -1315.541
where: short stacking energy: -595.412
Base-Backbone interact. energy: 0.768
local terms energy: -617.058422
where:
bonds (distance) C4'-P energy: -135.783
bonds (distance) P-C4' energy: -98.422
flat angles C4'-P-C4' energy: -127.689
flat angles P-C4'-P energy: -86.020
tors. eta vs tors. theta energy: -169.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1836.836890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.836890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.836890 (E_RNA)
where:
Base-Base interactions energy: -1244.406
where: short stacking energy: -550.988
Base-Backbone interact. energy: -0.735
local terms energy: -591.696794
where:
bonds (distance) C4'-P energy: -117.288
bonds (distance) P-C4' energy: -113.485
flat angles C4'-P-C4' energy: -131.627
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -153.541
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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1516.071765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.071765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.071765 (E_RNA)
where:
Base-Base interactions energy: -980.843
where: short stacking energy: -454.261
Base-Backbone interact. energy: -2.164
local terms energy: -533.064382
where:
bonds (distance) C4'-P energy: -113.329
bonds (distance) P-C4' energy: -112.993
flat angles C4'-P-C4' energy: -128.846
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -98.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1232.091673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.091673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.091673 (E_RNA)
where:
Base-Base interactions energy: -764.778
where: short stacking energy: -354.545
Base-Backbone interact. energy: 3.325
local terms energy: -470.638194
where:
bonds (distance) C4'-P energy: -111.635
bonds (distance) P-C4' energy: -109.288
flat angles C4'-P-C4' energy: -117.279
flat angles P-C4'-P energy: -67.408
tors. eta vs tors. theta energy: -65.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -756.730048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.730048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.730048 (E_RNA)
where:
Base-Base interactions energy: -377.317
where: short stacking energy: -229.217
Base-Backbone interact. energy: 1.978
local terms energy: -381.391462
where:
bonds (distance) C4'-P energy: -110.123
bonds (distance) P-C4' energy: -110.571
flat angles C4'-P-C4' energy: -92.695
flat angles P-C4'-P energy: -57.928
tors. eta vs tors. theta energy: -10.074
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: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -674.109084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.109084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.109084 (E_RNA)
where:
Base-Base interactions energy: -347.580
where: short stacking energy: -191.440
Base-Backbone interact. energy: -4.173
local terms energy: -322.357074
where:
bonds (distance) C4'-P energy: -99.858
bonds (distance) P-C4' energy: -95.220
flat angles C4'-P-C4' energy: -92.033
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: 6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2362.147649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.147649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.147649 (E_RNA)
where:
Base-Base interactions energy: -1666.716
where: short stacking energy: -656.314
Base-Backbone interact. energy: 10.506
local terms energy: -705.936930
where:
bonds (distance) C4'-P energy: -134.733
bonds (distance) P-C4' energy: -131.993
flat angles C4'-P-C4' energy: -148.696
flat angles P-C4'-P energy: -100.605
tors. eta vs tors. theta energy: -189.910
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2297.220426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.220426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.220426 (E_RNA)
where:
Base-Base interactions energy: -1604.919
where: short stacking energy: -664.129
Base-Backbone interact. energy: -5.209
local terms energy: -687.092394
where:
bonds (distance) C4'-P energy: -128.156
bonds (distance) P-C4' energy: -121.446
flat angles C4'-P-C4' energy: -148.802
flat angles P-C4'-P energy: -96.984
tors. eta vs tors. theta energy: -191.703
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: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2147.329562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.329562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.329562 (E_RNA)
where:
Base-Base interactions energy: -1505.615
where: short stacking energy: -613.748
Base-Backbone interact. energy: -3.992
local terms energy: -637.723198
where:
bonds (distance) C4'-P energy: -115.239
bonds (distance) P-C4' energy: -127.305
flat angles C4'-P-C4' energy: -132.877
flat angles P-C4'-P energy: -89.276
tors. eta vs tors. theta energy: -173.026
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: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2056.795565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.795565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.795565 (E_RNA)
where:
Base-Base interactions energy: -1396.751
where: short stacking energy: -605.620
Base-Backbone interact. energy: -0.111
local terms energy: -659.933197
where:
bonds (distance) C4'-P energy: -116.260
bonds (distance) P-C4' energy: -126.704
flat angles C4'-P-C4' energy: -138.693
flat angles P-C4'-P energy: -92.430
tors. eta vs tors. theta energy: -185.846
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: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1902.603570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.603570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.603570 (E_RNA)
where:
Base-Base interactions energy: -1273.096
where: short stacking energy: -540.702
Base-Backbone interact. energy: -1.048
local terms energy: -628.459311
where:
bonds (distance) C4'-P energy: -105.156
bonds (distance) P-C4' energy: -125.093
flat angles C4'-P-C4' energy: -149.777
flat angles P-C4'-P energy: -87.024
tors. eta vs tors. theta energy: -161.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1828.823256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.823256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.823256 (E_RNA)
where:
Base-Base interactions energy: -1216.843
where: short stacking energy: -537.378
Base-Backbone interact. energy: 2.005
local terms energy: -613.984774
where:
bonds (distance) C4'-P energy: -119.436
bonds (distance) P-C4' energy: -119.288
flat angles C4'-P-C4' energy: -139.766
flat angles P-C4'-P energy: -75.552
tors. eta vs tors. theta energy: -159.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1464.858368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.858368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.858368 (E_RNA)
where:
Base-Base interactions energy: -926.710
where: short stacking energy: -415.394
Base-Backbone interact. energy: -1.512
local terms energy: -536.636647
where:
bonds (distance) C4'-P energy: -112.713
bonds (distance) P-C4' energy: -126.879
flat angles C4'-P-C4' energy: -128.880
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -113.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1179.705023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.705023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.705023 (E_RNA)
where:
Base-Base interactions energy: -755.147
where: short stacking energy: -328.525
Base-Backbone interact. energy: -0.701
local terms energy: -423.856863
where:
bonds (distance) C4'-P energy: -116.333
bonds (distance) P-C4' energy: -99.172
flat angles C4'-P-C4' energy: -84.314
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -59.661
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: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -814.823444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.823444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.823444 (E_RNA)
where:
Base-Base interactions energy: -428.209
where: short stacking energy: -234.811
Base-Backbone interact. energy: 2.396
local terms energy: -389.009955
where:
bonds (distance) C4'-P energy: -114.158
bonds (distance) P-C4' energy: -118.339
flat angles C4'-P-C4' energy: -94.048
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -12.751
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: 336
Temperature: 1.350000
Total energy: -716.217137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.217137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.217137 (E_RNA)
where:
Base-Base interactions energy: -316.093
where: short stacking energy: -199.771
Base-Backbone interact. energy: 0.142
local terms energy: -400.265885
where:
bonds (distance) C4'-P energy: -109.892
bonds (distance) P-C4' energy: -118.659
flat angles C4'-P-C4' energy: -92.006
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2374.487632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.487632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.487632 (E_RNA)
where:
Base-Base interactions energy: -1685.513
where: short stacking energy: -675.423
Base-Backbone interact. energy: -4.982
local terms energy: -683.992694
where:
bonds (distance) C4'-P energy: -119.974
bonds (distance) P-C4' energy: -130.693
flat angles C4'-P-C4' energy: -145.697
flat angles P-C4'-P energy: -98.088
tors. eta vs tors. theta energy: -189.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2305.270076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.270076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.270076 (E_RNA)
where:
Base-Base interactions energy: -1596.565
where: short stacking energy: -654.389
Base-Backbone interact. energy: 0.560
local terms energy: -709.265242
where:
bonds (distance) C4'-P energy: -134.258
bonds (distance) P-C4' energy: -122.141
flat angles C4'-P-C4' energy: -156.974
flat angles P-C4'-P energy: -103.308
tors. eta vs tors. theta energy: -192.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2161.716964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.716964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.716964 (E_RNA)
where:
Base-Base interactions energy: -1519.692
where: short stacking energy: -638.010
Base-Backbone interact. energy: 5.652
local terms energy: -647.676745
where:
bonds (distance) C4'-P energy: -123.676
bonds (distance) P-C4' energy: -124.939
flat angles C4'-P-C4' energy: -134.406
flat angles P-C4'-P energy: -88.487
tors. eta vs tors. theta energy: -176.168
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2036.524131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.524131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.524131 (E_RNA)
where:
Base-Base interactions energy: -1405.156
where: short stacking energy: -606.721
Base-Backbone interact. energy: -0.915
local terms energy: -630.453027
where:
bonds (distance) C4'-P energy: -114.335
bonds (distance) P-C4' energy: -117.884
flat angles C4'-P-C4' energy: -135.204
flat angles P-C4'-P energy: -84.541
tors. eta vs tors. theta energy: -178.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1950.584047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.584047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.584047 (E_RNA)
where:
Base-Base interactions energy: -1315.960
where: short stacking energy: -600.761
Base-Backbone interact. energy: -1.968
local terms energy: -632.656811
where:
bonds (distance) C4'-P energy: -113.473
bonds (distance) P-C4' energy: -118.005
flat angles C4'-P-C4' energy: -133.771
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -178.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1812.470708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.470708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.470708 (E_RNA)
where:
Base-Base interactions energy: -1221.955
where: short stacking energy: -536.320
Base-Backbone interact. energy: -2.922
local terms energy: -587.594456
where:
bonds (distance) C4'-P energy: -117.207
bonds (distance) P-C4' energy: -120.144
flat angles C4'-P-C4' energy: -104.243
flat angles P-C4'-P energy: -100.597
tors. eta vs tors. theta energy: -145.403
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: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1518.521000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.521000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.521000 (E_RNA)
where:
Base-Base interactions energy: -996.604
where: short stacking energy: -462.274
Base-Backbone interact. energy: 2.042
local terms energy: -523.958317
where:
bonds (distance) C4'-P energy: -104.874
bonds (distance) P-C4' energy: -95.239
flat angles C4'-P-C4' energy: -121.879
flat angles P-C4'-P energy: -85.692
tors. eta vs tors. theta energy: -116.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1209.373841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.373841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.373841 (E_RNA)
where:
Base-Base interactions energy: -755.677
where: short stacking energy: -336.022
Base-Backbone interact. energy: 5.663
local terms energy: -459.359763
where:
bonds (distance) C4'-P energy: -105.322
bonds (distance) P-C4' energy: -115.815
flat angles C4'-P-C4' energy: -102.413
flat angles P-C4'-P energy: -75.200
tors. eta vs tors. theta energy: -60.609
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: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -818.735813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.735813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.735813 (E_RNA)
where:
Base-Base interactions energy: -421.651
where: short stacking energy: -221.966
Base-Backbone interact. energy: -0.042
local terms energy: -397.042958
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -121.098
flat angles C4'-P-C4' energy: -95.185
flat angles P-C4'-P energy: -51.882
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -687.826020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.826020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.826020 (E_RNA)
where:
Base-Base interactions energy: -319.977
where: short stacking energy: -187.052
Base-Backbone interact. energy: 1.903
local terms energy: -369.752483
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -110.416
flat angles C4'-P-C4' energy: -105.994
flat angles P-C4'-P energy: -52.139
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2354.316136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.316136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.316136 (E_RNA)
where:
Base-Base interactions energy: -1654.869
where: short stacking energy: -672.159
Base-Backbone interact. energy: -1.636
local terms energy: -697.810691
where:
bonds (distance) C4'-P energy: -133.759
bonds (distance) P-C4' energy: -118.767
flat angles C4'-P-C4' energy: -139.676
flat angles P-C4'-P energy: -109.749
tors. eta vs tors. theta energy: -195.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2335.899229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.899229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.899229 (E_RNA)
where:
Base-Base interactions energy: -1628.856
where: short stacking energy: -662.570
Base-Backbone interact. energy: -3.284
local terms energy: -703.759100
where:
bonds (distance) C4'-P energy: -133.967
bonds (distance) P-C4' energy: -114.949
flat angles C4'-P-C4' energy: -146.761
flat angles P-C4'-P energy: -110.434
tors. eta vs tors. theta energy: -197.647
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2196.844900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.844900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.844900 (E_RNA)
where:
Base-Base interactions energy: -1496.903
where: short stacking energy: -635.705
Base-Backbone interact. energy: -3.453
local terms energy: -696.489113
where:
bonds (distance) C4'-P energy: -136.669
bonds (distance) P-C4' energy: -126.024
flat angles C4'-P-C4' energy: -148.745
flat angles P-C4'-P energy: -90.096
tors. eta vs tors. theta energy: -194.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2070.265655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.265655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.265655 (E_RNA)
where:
Base-Base interactions energy: -1426.694
where: short stacking energy: -598.389
Base-Backbone interact. energy: -0.989
local terms energy: -642.582994
where:
bonds (distance) C4'-P energy: -112.322
bonds (distance) P-C4' energy: -119.401
flat angles C4'-P-C4' energy: -140.338
flat angles P-C4'-P energy: -93.277
tors. eta vs tors. theta energy: -177.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1932.466168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.466168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.466168 (E_RNA)
where:
Base-Base interactions energy: -1311.940
where: short stacking energy: -577.672
Base-Backbone interact. energy: -1.240
local terms energy: -619.286778
where:
bonds (distance) C4'-P energy: -102.078
bonds (distance) P-C4' energy: -129.434
flat angles C4'-P-C4' energy: -138.306
flat angles P-C4'-P energy: -97.312
tors. eta vs tors. theta energy: -152.157
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: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1803.252134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.252134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.252134 (E_RNA)
where:
Base-Base interactions energy: -1225.645
where: short stacking energy: -536.111
Base-Backbone interact. energy: -0.820
local terms energy: -576.787513
where:
bonds (distance) C4'-P energy: -110.339
bonds (distance) P-C4' energy: -112.161
flat angles C4'-P-C4' energy: -122.763
flat angles P-C4'-P energy: -73.916
tors. eta vs tors. theta energy: -157.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1498.672043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.672043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.672043 (E_RNA)
where:
Base-Base interactions energy: -990.582
where: short stacking energy: -447.515
Base-Backbone interact. energy: -1.852
local terms energy: -506.237320
where:
bonds (distance) C4'-P energy: -105.706
bonds (distance) P-C4' energy: -112.717
flat angles C4'-P-C4' energy: -113.824
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -97.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1254.813924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.813924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.813924 (E_RNA)
where:
Base-Base interactions energy: -816.219
where: short stacking energy: -375.142
Base-Backbone interact. energy: 0.457
local terms energy: -439.051375
where:
bonds (distance) C4'-P energy: -90.159
bonds (distance) P-C4' energy: -106.991
flat angles C4'-P-C4' energy: -112.141
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -64.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -917.974513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.974513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.974513 (E_RNA)
where:
Base-Base interactions energy: -497.995
where: short stacking energy: -247.881
Base-Backbone interact. energy: 0.038
local terms energy: -420.018240
where:
bonds (distance) C4'-P energy: -116.690
bonds (distance) P-C4' energy: -112.864
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -47.888
tors. eta vs tors. theta energy: -39.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -694.320592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.320592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.320592 (E_RNA)
where:
Base-Base interactions energy: -334.696
where: short stacking energy: -194.483
Base-Backbone interact. energy: -3.569
local terms energy: -356.055578
where:
bonds (distance) C4'-P energy: -108.732
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -82.680
flat angles P-C4'-P energy: -70.811
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2359.165088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.165088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.165088 (E_RNA)
where:
Base-Base interactions energy: -1655.541
where: short stacking energy: -665.830
Base-Backbone interact. energy: 1.867
local terms energy: -705.491700
where:
bonds (distance) C4'-P energy: -134.806
bonds (distance) P-C4' energy: -141.306
flat angles C4'-P-C4' energy: -144.834
flat angles P-C4'-P energy: -88.212
tors. eta vs tors. theta energy: -196.333
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: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2310.172761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.172761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.172761 (E_RNA)
where:
Base-Base interactions energy: -1639.624
where: short stacking energy: -676.869
Base-Backbone interact. energy: 0.727
local terms energy: -671.275621
where:
bonds (distance) C4'-P energy: -131.726
bonds (distance) P-C4' energy: -117.333
flat angles C4'-P-C4' energy: -143.401
flat angles P-C4'-P energy: -91.469
tors. eta vs tors. theta energy: -187.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2187.864431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.864431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.864431 (E_RNA)
where:
Base-Base interactions energy: -1516.680
where: short stacking energy: -640.131
Base-Backbone interact. energy: -4.617
local terms energy: -666.567924
where:
bonds (distance) C4'-P energy: -119.873
bonds (distance) P-C4' energy: -129.467
flat angles C4'-P-C4' energy: -146.098
flat angles P-C4'-P energy: -80.314
tors. eta vs tors. theta energy: -190.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2071.894850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.894850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.894850 (E_RNA)
where:
Base-Base interactions energy: -1416.618
where: short stacking energy: -603.483
Base-Backbone interact. energy: -2.335
local terms energy: -652.941778
where:
bonds (distance) C4'-P energy: -124.560
bonds (distance) P-C4' energy: -124.908
flat angles C4'-P-C4' energy: -135.577
flat angles P-C4'-P energy: -89.298
tors. eta vs tors. theta energy: -178.598
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1923.160260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.160260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.160260 (E_RNA)
where:
Base-Base interactions energy: -1318.950
where: short stacking energy: -579.784
Base-Backbone interact. energy: 1.781
local terms energy: -605.990765
where:
bonds (distance) C4'-P energy: -101.365
bonds (distance) P-C4' energy: -109.824
flat angles C4'-P-C4' energy: -142.776
flat angles P-C4'-P energy: -90.637
tors. eta vs tors. theta energy: -161.389
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: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1840.411774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.411774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.411774 (E_RNA)
where:
Base-Base interactions energy: -1249.554
where: short stacking energy: -540.617
Base-Backbone interact. energy: 4.147
local terms energy: -595.004481
where:
bonds (distance) C4'-P energy: -105.312
bonds (distance) P-C4' energy: -111.516
flat angles C4'-P-C4' energy: -132.733
flat angles P-C4'-P energy: -95.648
tors. eta vs tors. theta energy: -149.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1525.111118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.111118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.111118 (E_RNA)
where:
Base-Base interactions energy: -1017.689
where: short stacking energy: -449.468
Base-Backbone interact. energy: -2.004
local terms energy: -505.418149
where:
bonds (distance) C4'-P energy: -94.240
bonds (distance) P-C4' energy: -119.257
flat angles C4'-P-C4' energy: -119.660
flat angles P-C4'-P energy: -71.899
tors. eta vs tors. theta energy: -100.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1272.705440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.705440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.705440 (E_RNA)
where:
Base-Base interactions energy: -836.799
where: short stacking energy: -362.248
Base-Backbone interact. energy: -1.428
local terms energy: -434.478682
where:
bonds (distance) C4'-P energy: -100.596
bonds (distance) P-C4' energy: -105.266
flat angles C4'-P-C4' energy: -104.953
flat angles P-C4'-P energy: -64.711
tors. eta vs tors. theta energy: -58.953
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: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -761.488010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.488010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.488010 (E_RNA)
where:
Base-Base interactions energy: -407.522
where: short stacking energy: -227.868
Base-Backbone interact. energy: 2.075
local terms energy: -356.041167
where:
bonds (distance) C4'-P energy: -108.235
bonds (distance) P-C4' energy: -110.226
flat angles C4'-P-C4' energy: -89.772
flat angles P-C4'-P energy: -50.617
tors. eta vs tors. theta energy: 2.809
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: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -759.168202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.168202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.168202 (E_RNA)
where:
Base-Base interactions energy: -356.680
where: short stacking energy: -190.143
Base-Backbone interact. energy: 2.289
local terms energy: -404.776697
where:
bonds (distance) C4'-P energy: -107.341
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -115.604
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -9.671
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: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2360.574123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.574123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.574123 (E_RNA)
where:
Base-Base interactions energy: -1670.791
where: short stacking energy: -675.098
Base-Backbone interact. energy: 0.534
local terms energy: -690.316776
where:
bonds (distance) C4'-P energy: -131.051
bonds (distance) P-C4' energy: -124.569
flat angles C4'-P-C4' energy: -139.302
flat angles P-C4'-P energy: -90.935
tors. eta vs tors. theta energy: -204.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2308.827512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.827512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.827512 (E_RNA)
where:
Base-Base interactions energy: -1635.506
where: short stacking energy: -649.835
Base-Backbone interact. energy: -4.168
local terms energy: -669.153679
where:
bonds (distance) C4'-P energy: -132.501
bonds (distance) P-C4' energy: -128.758
flat angles C4'-P-C4' energy: -143.847
flat angles P-C4'-P energy: -87.460
tors. eta vs tors. theta energy: -176.589
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: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2176.769229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.769229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.769229 (E_RNA)
where:
Base-Base interactions energy: -1495.805
where: short stacking energy: -618.721
Base-Backbone interact. energy: -2.722
local terms energy: -678.241866
where:
bonds (distance) C4'-P energy: -125.567
bonds (distance) P-C4' energy: -136.636
flat angles C4'-P-C4' energy: -134.174
flat angles P-C4'-P energy: -98.226
tors. eta vs tors. theta energy: -183.639
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: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2086.170794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.170794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.170794 (E_RNA)
where:
Base-Base interactions energy: -1435.136
where: short stacking energy: -641.351
Base-Backbone interact. energy: -2.087
local terms energy: -648.947306
where:
bonds (distance) C4'-P energy: -118.454
bonds (distance) P-C4' energy: -134.984
flat angles C4'-P-C4' energy: -134.894
flat angles P-C4'-P energy: -74.878
tors. eta vs tors. theta energy: -185.738
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: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1968.592279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.592279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.592279 (E_RNA)
where:
Base-Base interactions energy: -1335.111
where: short stacking energy: -579.743
Base-Backbone interact. energy: -2.806
local terms energy: -630.675187
where:
bonds (distance) C4'-P energy: -114.593
bonds (distance) P-C4' energy: -117.157
flat angles C4'-P-C4' energy: -128.444
flat angles P-C4'-P energy: -102.281
tors. eta vs tors. theta energy: -168.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1864.696713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.696713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.696713 (E_RNA)
where:
Base-Base interactions energy: -1299.825
where: short stacking energy: -567.888
Base-Backbone interact. energy: 3.127
local terms energy: -567.999078
where:
bonds (distance) C4'-P energy: -88.180
bonds (distance) P-C4' energy: -119.356
flat angles C4'-P-C4' energy: -124.378
flat angles P-C4'-P energy: -76.604
tors. eta vs tors. theta energy: -159.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1483.907421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.907421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.907421 (E_RNA)
where:
Base-Base interactions energy: -1009.852
where: short stacking energy: -438.225
Base-Backbone interact. energy: -3.310
local terms energy: -470.745286
where:
bonds (distance) C4'-P energy: -107.933
bonds (distance) P-C4' energy: -119.971
flat angles C4'-P-C4' energy: -103.095
flat angles P-C4'-P energy: -60.869
tors. eta vs tors. theta energy: -78.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1238.244205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.244205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.244205 (E_RNA)
where:
Base-Base interactions energy: -794.647
where: short stacking energy: -351.760
Base-Backbone interact. energy: -1.670
local terms energy: -441.926706
where:
bonds (distance) C4'-P energy: -111.177
bonds (distance) P-C4' energy: -114.111
flat angles C4'-P-C4' energy: -100.468
flat angles P-C4'-P energy: -50.910
tors. eta vs tors. theta energy: -65.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -781.194426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.194426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.194426 (E_RNA)
where:
Base-Base interactions energy: -402.119
where: short stacking energy: -248.331
Base-Backbone interact. energy: 0.613
local terms energy: -379.688346
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -121.036
flat angles C4'-P-C4' energy: -92.897
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -20.519
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: 340
Temperature: 1.350000
Total energy: -689.304222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.304222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.304222 (E_RNA)
where:
Base-Base interactions energy: -358.825
where: short stacking energy: -203.854
Base-Backbone interact. energy: -3.895
local terms energy: -326.583534
where:
bonds (distance) C4'-P energy: -99.094
bonds (distance) P-C4' energy: -93.635
flat angles C4'-P-C4' energy: -71.465
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2364.350099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.350099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.350099 (E_RNA)
where:
Base-Base interactions energy: -1648.956
where: short stacking energy: -677.382
Base-Backbone interact. energy: 2.535
local terms energy: -717.929401
where:
bonds (distance) C4'-P energy: -134.305
bonds (distance) P-C4' energy: -133.259
flat angles C4'-P-C4' energy: -157.894
flat angles P-C4'-P energy: -96.299
tors. eta vs tors. theta energy: -196.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2326.771176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.771176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.771176 (E_RNA)
where:
Base-Base interactions energy: -1667.570
where: short stacking energy: -665.628
Base-Backbone interact. energy: -2.765
local terms energy: -656.436044
where:
bonds (distance) C4'-P energy: -119.323
bonds (distance) P-C4' energy: -121.524
flat angles C4'-P-C4' energy: -143.697
flat angles P-C4'-P energy: -94.655
tors. eta vs tors. theta energy: -177.237
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: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2185.687630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.687630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.687630 (E_RNA)
where:
Base-Base interactions energy: -1517.609
where: short stacking energy: -602.579
Base-Backbone interact. energy: -2.082
local terms energy: -665.996217
where:
bonds (distance) C4'-P energy: -121.371
bonds (distance) P-C4' energy: -133.349
flat angles C4'-P-C4' energy: -139.899
flat angles P-C4'-P energy: -83.706
tors. eta vs tors. theta energy: -187.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2086.758847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.758847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.758847 (E_RNA)
where:
Base-Base interactions energy: -1433.892
where: short stacking energy: -597.504
Base-Backbone interact. energy: -1.478
local terms energy: -651.389159
where:
bonds (distance) C4'-P energy: -118.578
bonds (distance) P-C4' energy: -117.384
flat angles C4'-P-C4' energy: -136.551
flat angles P-C4'-P energy: -91.831
tors. eta vs tors. theta energy: -187.045
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: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1964.928763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.928763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.928763 (E_RNA)
where:
Base-Base interactions energy: -1343.377
where: short stacking energy: -605.197
Base-Backbone interact. energy: -0.705
local terms energy: -620.847317
where:
bonds (distance) C4'-P energy: -103.650
bonds (distance) P-C4' energy: -120.179
flat angles C4'-P-C4' energy: -136.262
flat angles P-C4'-P energy: -92.993
tors. eta vs tors. theta energy: -167.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1779.365601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.365601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.365601 (E_RNA)
where:
Base-Base interactions energy: -1196.552
where: short stacking energy: -518.471
Base-Backbone interact. energy: -3.547
local terms energy: -579.267431
where:
bonds (distance) C4'-P energy: -112.069
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -133.966
flat angles P-C4'-P energy: -85.834
tors. eta vs tors. theta energy: -137.647
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: 341
Temperature: 1.200000
Total energy: -1571.881892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.881892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.881892 (E_RNA)
where:
Base-Base interactions energy: -1052.040
where: short stacking energy: -466.138
Base-Backbone interact. energy: 1.239
local terms energy: -521.081319
where:
bonds (distance) C4'-P energy: -106.688
bonds (distance) P-C4' energy: -98.343
flat angles C4'-P-C4' energy: -119.329
flat angles P-C4'-P energy: -73.969
tors. eta vs tors. theta energy: -122.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1234.746598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.746598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.746598 (E_RNA)
where:
Base-Base interactions energy: -775.398
where: short stacking energy: -372.364
Base-Backbone interact. energy: -2.533
local terms energy: -456.815271
where:
bonds (distance) C4'-P energy: -130.537
bonds (distance) P-C4' energy: -94.882
flat angles C4'-P-C4' energy: -109.899
flat angles P-C4'-P energy: -66.830
tors. eta vs tors. theta energy: -54.667
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: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -811.399042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.399042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.399042 (E_RNA)
where:
Base-Base interactions energy: -435.356
where: short stacking energy: -240.551
Base-Backbone interact. energy: 1.588
local terms energy: -377.631297
where:
bonds (distance) C4'-P energy: -96.710
bonds (distance) P-C4' energy: -104.862
flat angles C4'-P-C4' energy: -92.894
flat angles P-C4'-P energy: -64.468
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -641.649529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.649529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.649529 (E_RNA)
where:
Base-Base interactions energy: -332.147
where: short stacking energy: -222.836
Base-Backbone interact. energy: 4.386
local terms energy: -313.889078
where:
bonds (distance) C4'-P energy: -78.846
bonds (distance) P-C4' energy: -98.200
flat angles C4'-P-C4' energy: -84.640
flat angles P-C4'-P energy: -55.994
tors. eta vs tors. theta energy: 3.791
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: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2361.189551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.189551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.189551 (E_RNA)
where:
Base-Base interactions energy: -1638.123
where: short stacking energy: -670.414
Base-Backbone interact. energy: -3.882
local terms energy: -719.184546
where:
bonds (distance) C4'-P energy: -128.446
bonds (distance) P-C4' energy: -140.931
flat angles C4'-P-C4' energy: -151.560
flat angles P-C4'-P energy: -109.197
tors. eta vs tors. theta energy: -189.051
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: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2327.604886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.604886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.604886 (E_RNA)
where:
Base-Base interactions energy: -1626.757
where: short stacking energy: -666.555
Base-Backbone interact. energy: -2.165
local terms energy: -698.682527
where:
bonds (distance) C4'-P energy: -133.679
bonds (distance) P-C4' energy: -134.720
flat angles C4'-P-C4' energy: -152.513
flat angles P-C4'-P energy: -84.282
tors. eta vs tors. theta energy: -193.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2168.426440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.426440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.426440 (E_RNA)
where:
Base-Base interactions energy: -1516.735
where: short stacking energy: -638.154
Base-Backbone interact. energy: -2.328
local terms energy: -649.363171
where:
bonds (distance) C4'-P energy: -109.401
bonds (distance) P-C4' energy: -137.166
flat angles C4'-P-C4' energy: -131.773
flat angles P-C4'-P energy: -87.981
tors. eta vs tors. theta energy: -183.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2074.130798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.130798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.130798 (E_RNA)
where:
Base-Base interactions energy: -1418.017
where: short stacking energy: -624.698
Base-Backbone interact. energy: -0.211
local terms energy: -655.903251
where:
bonds (distance) C4'-P energy: -117.617
bonds (distance) P-C4' energy: -113.267
flat angles C4'-P-C4' energy: -141.704
flat angles P-C4'-P energy: -95.926
tors. eta vs tors. theta energy: -187.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1961.845520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.845520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.845520 (E_RNA)
where:
Base-Base interactions energy: -1305.303
where: short stacking energy: -580.111
Base-Backbone interact. energy: -1.244
local terms energy: -655.299193
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -104.314
flat angles C4'-P-C4' energy: -155.458
flat angles P-C4'-P energy: -89.430
tors. eta vs tors. theta energy: -180.784
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: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1814.716990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.716990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.716990 (E_RNA)
where:
Base-Base interactions energy: -1237.626
where: short stacking energy: -527.354
Base-Backbone interact. energy: -2.276
local terms energy: -574.815688
where:
bonds (distance) C4'-P energy: -108.051
bonds (distance) P-C4' energy: -106.633
flat angles C4'-P-C4' energy: -128.698
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: -163.921
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: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1558.887365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.887365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.887365 (E_RNA)
where:
Base-Base interactions energy: -1024.539
where: short stacking energy: -434.384
Base-Backbone interact. energy: 1.376
local terms energy: -535.724171
where:
bonds (distance) C4'-P energy: -112.725
bonds (distance) P-C4' energy: -108.366
flat angles C4'-P-C4' energy: -127.624
flat angles P-C4'-P energy: -72.679
tors. eta vs tors. theta energy: -114.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1265.215342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.215342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.215342 (E_RNA)
where:
Base-Base interactions energy: -795.928
where: short stacking energy: -345.711
Base-Backbone interact. energy: -2.402
local terms energy: -466.885180
where:
bonds (distance) C4'-P energy: -91.239
bonds (distance) P-C4' energy: -121.897
flat angles C4'-P-C4' energy: -106.731
flat angles P-C4'-P energy: -77.441
tors. eta vs tors. theta energy: -69.577
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: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -846.466289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.466289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.466289 (E_RNA)
where:
Base-Base interactions energy: -438.038
where: short stacking energy: -249.602
Base-Backbone interact. energy: -3.543
local terms energy: -404.884958
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -115.457
flat angles C4'-P-C4' energy: -93.495
flat angles P-C4'-P energy: -52.161
tors. eta vs tors. theta energy: -28.342
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: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -663.100204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.100204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.100204 (E_RNA)
where:
Base-Base interactions energy: -293.937
where: short stacking energy: -172.080
Base-Backbone interact. energy: -2.764
local terms energy: -366.399686
where:
bonds (distance) C4'-P energy: -89.611
bonds (distance) P-C4' energy: -127.546
flat angles C4'-P-C4' energy: -90.673
flat angles P-C4'-P energy: -57.965
tors. eta vs tors. theta energy: -0.605
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: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2377.718118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.718118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.718118 (E_RNA)
where:
Base-Base interactions energy: -1668.587
where: short stacking energy: -646.897
Base-Backbone interact. energy: -0.067
local terms energy: -709.064847
where:
bonds (distance) C4'-P energy: -132.511
bonds (distance) P-C4' energy: -135.838
flat angles C4'-P-C4' energy: -133.744
flat angles P-C4'-P energy: -120.624
tors. eta vs tors. theta energy: -186.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2296.828922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.828922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.828922 (E_RNA)
where:
Base-Base interactions energy: -1623.289
where: short stacking energy: -639.671
Base-Backbone interact. energy: -1.923
local terms energy: -671.616938
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -132.539
flat angles C4'-P-C4' energy: -138.050
flat angles P-C4'-P energy: -101.949
tors. eta vs tors. theta energy: -184.306
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: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2149.889419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.889419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.889419 (E_RNA)
where:
Base-Base interactions energy: -1496.467
where: short stacking energy: -611.633
Base-Backbone interact. energy: -1.534
local terms energy: -651.888169
where:
bonds (distance) C4'-P energy: -128.040
bonds (distance) P-C4' energy: -120.369
flat angles C4'-P-C4' energy: -147.760
flat angles P-C4'-P energy: -84.983
tors. eta vs tors. theta energy: -170.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2051.638207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.638207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.638207 (E_RNA)
where:
Base-Base interactions energy: -1396.527
where: short stacking energy: -580.172
Base-Backbone interact. energy: 0.455
local terms energy: -655.566449
where:
bonds (distance) C4'-P energy: -126.153
bonds (distance) P-C4' energy: -121.607
flat angles C4'-P-C4' energy: -138.805
flat angles P-C4'-P energy: -93.113
tors. eta vs tors. theta energy: -175.888
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: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1949.257595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.257595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.257595 (E_RNA)
where:
Base-Base interactions energy: -1312.278
where: short stacking energy: -572.692
Base-Backbone interact. energy: -3.031
local terms energy: -633.948264
where:
bonds (distance) C4'-P energy: -119.834
bonds (distance) P-C4' energy: -123.474
flat angles C4'-P-C4' energy: -133.280
flat angles P-C4'-P energy: -82.834
tors. eta vs tors. theta energy: -174.527
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: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1836.048338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.048338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.048338 (E_RNA)
where:
Base-Base interactions energy: -1226.263
where: short stacking energy: -557.270
Base-Backbone interact. energy: -2.674
local terms energy: -607.110622
where:
bonds (distance) C4'-P energy: -119.119
bonds (distance) P-C4' energy: -128.182
flat angles C4'-P-C4' energy: -133.706
flat angles P-C4'-P energy: -77.267
tors. eta vs tors. theta energy: -148.836
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: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1575.275842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.275842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.275842 (E_RNA)
where:
Base-Base interactions energy: -1042.077
where: short stacking energy: -440.760
Base-Backbone interact. energy: -2.934
local terms energy: -530.264384
where:
bonds (distance) C4'-P energy: -116.590
bonds (distance) P-C4' energy: -114.004
flat angles C4'-P-C4' energy: -120.099
flat angles P-C4'-P energy: -83.610
tors. eta vs tors. theta energy: -95.960
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: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1259.865996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.865996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.865996 (E_RNA)
where:
Base-Base interactions energy: -801.531
where: short stacking energy: -344.519
Base-Backbone interact. energy: -1.908
local terms energy: -456.426456
where:
bonds (distance) C4'-P energy: -98.208
bonds (distance) P-C4' energy: -118.761
flat angles C4'-P-C4' energy: -118.170
flat angles P-C4'-P energy: -72.239
tors. eta vs tors. theta energy: -49.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -838.556559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.556559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.556559 (E_RNA)
where:
Base-Base interactions energy: -440.578
where: short stacking energy: -259.385
Base-Backbone interact. energy: -0.054
local terms energy: -397.924778
where:
bonds (distance) C4'-P energy: -118.646
bonds (distance) P-C4' energy: -121.498
flat angles C4'-P-C4' energy: -97.812
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -16.962
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: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -645.916533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.916533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.916533 (E_RNA)
where:
Base-Base interactions energy: -296.611
where: short stacking energy: -180.534
Base-Backbone interact. energy: 1.664
local terms energy: -350.969447
where:
bonds (distance) C4'-P energy: -94.062
bonds (distance) P-C4' energy: -111.225
flat angles C4'-P-C4' energy: -108.987
flat angles P-C4'-P energy: -48.704
tors. eta vs tors. theta energy: 12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2376.662365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.662365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.662365 (E_RNA)
where:
Base-Base interactions energy: -1670.587
where: short stacking energy: -666.219
Base-Backbone interact. energy: 5.590
local terms energy: -711.665230
where:
bonds (distance) C4'-P energy: -133.078
bonds (distance) P-C4' energy: -134.043
flat angles C4'-P-C4' energy: -142.577
flat angles P-C4'-P energy: -114.604
tors. eta vs tors. theta energy: -187.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2278.489068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.489068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.489068 (E_RNA)
where:
Base-Base interactions energy: -1619.511
where: short stacking energy: -642.937
Base-Backbone interact. energy: -3.772
local terms energy: -655.205855
where:
bonds (distance) C4'-P energy: -129.166
bonds (distance) P-C4' energy: -119.328
flat angles C4'-P-C4' energy: -137.512
flat angles P-C4'-P energy: -80.579
tors. eta vs tors. theta energy: -188.621
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: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2141.448798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.448798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.448798 (E_RNA)
where:
Base-Base interactions energy: -1485.795
where: short stacking energy: -609.367
Base-Backbone interact. energy: -0.338
local terms energy: -655.315216
where:
bonds (distance) C4'-P energy: -125.485
bonds (distance) P-C4' energy: -120.283
flat angles C4'-P-C4' energy: -145.523
flat angles P-C4'-P energy: -98.425
tors. eta vs tors. theta energy: -165.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2036.255749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.255749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.255749 (E_RNA)
where:
Base-Base interactions energy: -1413.481
where: short stacking energy: -611.055
Base-Backbone interact. energy: -0.348
local terms energy: -622.426867
where:
bonds (distance) C4'-P energy: -112.210
bonds (distance) P-C4' energy: -110.150
flat angles C4'-P-C4' energy: -138.010
flat angles P-C4'-P energy: -92.004
tors. eta vs tors. theta energy: -170.053
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: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1982.971850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.971850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.971850 (E_RNA)
where:
Base-Base interactions energy: -1343.881
where: short stacking energy: -590.630
Base-Backbone interact. energy: 1.474
local terms energy: -640.565578
where:
bonds (distance) C4'-P energy: -129.481
bonds (distance) P-C4' energy: -103.892
flat angles C4'-P-C4' energy: -140.094
flat angles P-C4'-P energy: -99.378
tors. eta vs tors. theta energy: -167.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1846.248946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.248946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.248946 (E_RNA)
where:
Base-Base interactions energy: -1252.440
where: short stacking energy: -558.990
Base-Backbone interact. energy: -2.071
local terms energy: -591.738630
where:
bonds (distance) C4'-P energy: -112.666
bonds (distance) P-C4' energy: -121.005
flat angles C4'-P-C4' energy: -121.446
flat angles P-C4'-P energy: -75.047
tors. eta vs tors. theta energy: -161.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1575.584052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.584052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.584052 (E_RNA)
where:
Base-Base interactions energy: -1011.145
where: short stacking energy: -461.607
Base-Backbone interact. energy: -1.480
local terms energy: -562.959081
where:
bonds (distance) C4'-P energy: -117.157
bonds (distance) P-C4' energy: -121.922
flat angles C4'-P-C4' energy: -119.934
flat angles P-C4'-P energy: -77.332
tors. eta vs tors. theta energy: -126.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1265.765457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.765457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.765457 (E_RNA)
where:
Base-Base interactions energy: -821.706
where: short stacking energy: -378.066
Base-Backbone interact. energy: -0.651
local terms energy: -443.408545
where:
bonds (distance) C4'-P energy: -108.466
bonds (distance) P-C4' energy: -112.922
flat angles C4'-P-C4' energy: -114.153
flat angles P-C4'-P energy: -42.613
tors. eta vs tors. theta energy: -65.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -866.349867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.349867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.349867 (E_RNA)
where:
Base-Base interactions energy: -464.511
where: short stacking energy: -252.845
Base-Backbone interact. energy: -1.012
local terms energy: -400.827518
where:
bonds (distance) C4'-P energy: -110.731
bonds (distance) P-C4' energy: -115.002
flat angles C4'-P-C4' energy: -97.999
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -5.327
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: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -648.409254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.409254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.409254 (E_RNA)
where:
Base-Base interactions energy: -307.123
where: short stacking energy: -170.352
Base-Backbone interact. energy: 1.190
local terms energy: -342.476804
where:
bonds (distance) C4'-P energy: -107.489
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -100.610
flat angles P-C4'-P energy: -60.048
tors. eta vs tors. theta energy: 29.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2377.432949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.432949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.432949 (E_RNA)
where:
Base-Base interactions energy: -1688.933
where: short stacking energy: -666.329
Base-Backbone interact. energy: 2.622
local terms energy: -691.121778
where:
bonds (distance) C4'-P energy: -125.301
bonds (distance) P-C4' energy: -139.528
flat angles C4'-P-C4' energy: -144.321
flat angles P-C4'-P energy: -96.176
tors. eta vs tors. theta energy: -185.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2319.842832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.842832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.842832 (E_RNA)
where:
Base-Base interactions energy: -1638.707
where: short stacking energy: -644.624
Base-Backbone interact. energy: -4.254
local terms energy: -676.881113
where:
bonds (distance) C4'-P energy: -129.749
bonds (distance) P-C4' energy: -121.128
flat angles C4'-P-C4' energy: -144.729
flat angles P-C4'-P energy: -96.259
tors. eta vs tors. theta energy: -185.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2163.184219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.184219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.184219 (E_RNA)
where:
Base-Base interactions energy: -1503.426
where: short stacking energy: -614.167
Base-Backbone interact. energy: -0.404
local terms energy: -659.354692
where:
bonds (distance) C4'-P energy: -118.179
bonds (distance) P-C4' energy: -122.106
flat angles C4'-P-C4' energy: -147.865
flat angles P-C4'-P energy: -85.311
tors. eta vs tors. theta energy: -185.894
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: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2048.326443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.326443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.326443 (E_RNA)
where:
Base-Base interactions energy: -1394.266
where: short stacking energy: -623.968
Base-Backbone interact. energy: -1.680
local terms energy: -652.381257
where:
bonds (distance) C4'-P energy: -107.243
bonds (distance) P-C4' energy: -117.166
flat angles C4'-P-C4' energy: -140.568
flat angles P-C4'-P energy: -103.325
tors. eta vs tors. theta energy: -184.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1924.664732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.664732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.664732 (E_RNA)
where:
Base-Base interactions energy: -1302.560
where: short stacking energy: -564.782
Base-Backbone interact. energy: -1.499
local terms energy: -620.605722
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -125.702
flat angles C4'-P-C4' energy: -138.721
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: -162.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1841.874689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.874689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.874689 (E_RNA)
where:
Base-Base interactions energy: -1249.532
where: short stacking energy: -546.761
Base-Backbone interact. energy: -2.140
local terms energy: -590.202792
where:
bonds (distance) C4'-P energy: -113.039
bonds (distance) P-C4' energy: -104.393
flat angles C4'-P-C4' energy: -134.822
flat angles P-C4'-P energy: -80.090
tors. eta vs tors. theta energy: -157.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1588.269408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.269408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.269408 (E_RNA)
where:
Base-Base interactions energy: -1058.226
where: short stacking energy: -464.458
Base-Backbone interact. energy: -2.558
local terms energy: -527.486067
where:
bonds (distance) C4'-P energy: -108.225
bonds (distance) P-C4' energy: -112.761
flat angles C4'-P-C4' energy: -128.220
flat angles P-C4'-P energy: -69.223
tors. eta vs tors. theta energy: -109.057
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1289.769503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.769503 (E_RNA)
where:
Base-Base interactions energy: -801.049
where: short stacking energy: -380.489
Base-Backbone interact. energy: -1.222
local terms energy: -487.498930
where:
bonds (distance) C4'-P energy: -119.596
bonds (distance) P-C4' energy: -116.483
flat angles C4'-P-C4' energy: -110.713
flat angles P-C4'-P energy: -61.289
tors. eta vs tors. theta energy: -79.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -825.282746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.282746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.282746 (E_RNA)
where:
Base-Base interactions energy: -446.907
where: short stacking energy: -239.807
Base-Backbone interact. energy: 3.635
local terms energy: -382.011236
where:
bonds (distance) C4'-P energy: -106.361
bonds (distance) P-C4' energy: -116.496
flat angles C4'-P-C4' energy: -84.770
flat angles P-C4'-P energy: -58.901
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -651.922716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.922716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.922716 (E_RNA)
where:
Base-Base interactions energy: -324.296
where: short stacking energy: -191.135
Base-Backbone interact. energy: 0.982
local terms energy: -328.609237
where:
bonds (distance) C4'-P energy: -100.051
bonds (distance) P-C4' energy: -98.528
flat angles C4'-P-C4' energy: -90.868
flat angles P-C4'-P energy: -48.584
tors. eta vs tors. theta energy: 9.421
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: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2377.720435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.720435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.720435 (E_RNA)
where:
Base-Base interactions energy: -1703.750
where: short stacking energy: -686.824
Base-Backbone interact. energy: -2.130
local terms energy: -671.839909
where:
bonds (distance) C4'-P energy: -118.305
bonds (distance) P-C4' energy: -131.919
flat angles C4'-P-C4' energy: -144.776
flat angles P-C4'-P energy: -95.605
tors. eta vs tors. theta energy: -181.235
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: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2320.232471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.232471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.232471 (E_RNA)
where:
Base-Base interactions energy: -1629.461
where: short stacking energy: -660.486
Base-Backbone interact. energy: -1.070
local terms energy: -689.701519
where:
bonds (distance) C4'-P energy: -124.488
bonds (distance) P-C4' energy: -141.945
flat angles C4'-P-C4' energy: -135.760
flat angles P-C4'-P energy: -93.798
tors. eta vs tors. theta energy: -193.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2195.888717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.888717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.888717 (E_RNA)
where:
Base-Base interactions energy: -1518.644
where: short stacking energy: -618.395
Base-Backbone interact. energy: -3.413
local terms energy: -673.831590
where:
bonds (distance) C4'-P energy: -121.092
bonds (distance) P-C4' energy: -126.251
flat angles C4'-P-C4' energy: -151.073
flat angles P-C4'-P energy: -89.608
tors. eta vs tors. theta energy: -185.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2082.343908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.343908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.343908 (E_RNA)
where:
Base-Base interactions energy: -1418.357
where: short stacking energy: -614.012
Base-Backbone interact. energy: 2.264
local terms energy: -666.251158
where:
bonds (distance) C4'-P energy: -126.802
bonds (distance) P-C4' energy: -129.740
flat angles C4'-P-C4' energy: -128.253
flat angles P-C4'-P energy: -95.929
tors. eta vs tors. theta energy: -185.526
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: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1947.628453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.628453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.628453 (E_RNA)
where:
Base-Base interactions energy: -1303.327
where: short stacking energy: -562.833
Base-Backbone interact. energy: -1.072
local terms energy: -643.229652
where:
bonds (distance) C4'-P energy: -111.852
bonds (distance) P-C4' energy: -132.198
flat angles C4'-P-C4' energy: -129.742
flat angles P-C4'-P energy: -95.772
tors. eta vs tors. theta energy: -173.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1816.742513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.742513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.742513 (E_RNA)
where:
Base-Base interactions energy: -1235.848
where: short stacking energy: -516.157
Base-Backbone interact. energy: 0.788
local terms energy: -581.683426
where:
bonds (distance) C4'-P energy: -98.294
bonds (distance) P-C4' energy: -121.679
flat angles C4'-P-C4' energy: -134.166
flat angles P-C4'-P energy: -86.985
tors. eta vs tors. theta energy: -140.560
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1580.745855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.745855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.745855 (E_RNA)
where:
Base-Base interactions energy: -1044.777
where: short stacking energy: -477.644
Base-Backbone interact. energy: 1.863
local terms energy: -537.832096
where:
bonds (distance) C4'-P energy: -116.156
bonds (distance) P-C4' energy: -110.875
flat angles C4'-P-C4' energy: -128.472
flat angles P-C4'-P energy: -63.682
tors. eta vs tors. theta energy: -118.647
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: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1228.787744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.787744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.787744 (E_RNA)
where:
Base-Base interactions energy: -785.961
where: short stacking energy: -377.337
Base-Backbone interact. energy: 0.705
local terms energy: -443.531826
where:
bonds (distance) C4'-P energy: -100.717
bonds (distance) P-C4' energy: -107.396
flat angles C4'-P-C4' energy: -104.660
flat angles P-C4'-P energy: -51.496
tors. eta vs tors. theta energy: -79.263
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: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -806.413038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.413038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.413038 (E_RNA)
where:
Base-Base interactions energy: -405.026
where: short stacking energy: -225.004
Base-Backbone interact. energy: -4.611
local terms energy: -396.776153
where:
bonds (distance) C4'-P energy: -111.777
bonds (distance) P-C4' energy: -110.414
flat angles C4'-P-C4' energy: -106.964
flat angles P-C4'-P energy: -59.378
tors. eta vs tors. theta energy: -8.243
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: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -715.522107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.522107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.522107 (E_RNA)
where:
Base-Base interactions energy: -358.010
where: short stacking energy: -193.929
Base-Backbone interact. energy: 2.717
local terms energy: -360.229381
where:
bonds (distance) C4'-P energy: -97.444
bonds (distance) P-C4' energy: -121.616
flat angles C4'-P-C4' energy: -77.496
flat angles P-C4'-P energy: -56.921
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2375.966586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.966586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.966586 (E_RNA)
where:
Base-Base interactions energy: -1666.445
where: short stacking energy: -676.603
Base-Backbone interact. energy: -2.077
local terms energy: -707.444537
where:
bonds (distance) C4'-P energy: -137.896
bonds (distance) P-C4' energy: -128.205
flat angles C4'-P-C4' energy: -153.284
flat angles P-C4'-P energy: -101.589
tors. eta vs tors. theta energy: -186.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2292.096236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.096236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.096236 (E_RNA)
where:
Base-Base interactions energy: -1612.249
where: short stacking energy: -636.945
Base-Backbone interact. energy: -3.885
local terms energy: -675.961989
where:
bonds (distance) C4'-P energy: -123.088
bonds (distance) P-C4' energy: -138.059
flat angles C4'-P-C4' energy: -144.978
flat angles P-C4'-P energy: -79.405
tors. eta vs tors. theta energy: -190.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2179.743694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.743694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.743694 (E_RNA)
where:
Base-Base interactions energy: -1523.094
where: short stacking energy: -640.014
Base-Backbone interact. energy: -2.884
local terms energy: -653.765343
where:
bonds (distance) C4'-P energy: -122.530
bonds (distance) P-C4' energy: -124.050
flat angles C4'-P-C4' energy: -144.441
flat angles P-C4'-P energy: -74.889
tors. eta vs tors. theta energy: -187.856
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: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2096.043542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.043542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.043542 (E_RNA)
where:
Base-Base interactions energy: -1464.234
where: short stacking energy: -621.181
Base-Backbone interact. energy: -3.173
local terms energy: -628.636786
where:
bonds (distance) C4'-P energy: -126.373
bonds (distance) P-C4' energy: -85.623
flat angles C4'-P-C4' energy: -141.418
flat angles P-C4'-P energy: -88.683
tors. eta vs tors. theta energy: -186.540
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: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1942.658853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.658853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.658853 (E_RNA)
where:
Base-Base interactions energy: -1313.045
where: short stacking energy: -595.463
Base-Backbone interact. energy: 1.761
local terms energy: -631.374727
where:
bonds (distance) C4'-P energy: -107.363
bonds (distance) P-C4' energy: -127.745
flat angles C4'-P-C4' energy: -141.103
flat angles P-C4'-P energy: -89.260
tors. eta vs tors. theta energy: -165.903
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: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1900.311517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.311517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.311517 (E_RNA)
where:
Base-Base interactions energy: -1274.596
where: short stacking energy: -555.144
Base-Backbone interact. energy: -0.951
local terms energy: -624.764489
where:
bonds (distance) C4'-P energy: -123.782
bonds (distance) P-C4' energy: -113.618
flat angles C4'-P-C4' energy: -131.486
flat angles P-C4'-P energy: -86.478
tors. eta vs tors. theta energy: -169.401
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: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1575.996404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.996404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.996404 (E_RNA)
where:
Base-Base interactions energy: -1049.367
where: short stacking energy: -457.634
Base-Backbone interact. energy: -1.102
local terms energy: -525.526758
where:
bonds (distance) C4'-P energy: -104.389
bonds (distance) P-C4' energy: -102.496
flat angles C4'-P-C4' energy: -115.384
flat angles P-C4'-P energy: -84.614
tors. eta vs tors. theta energy: -118.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1308.385978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.385978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.385978 (E_RNA)
where:
Base-Base interactions energy: -849.773
where: short stacking energy: -362.830
Base-Backbone interact. energy: -0.265
local terms energy: -458.347915
where:
bonds (distance) C4'-P energy: -107.411
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -107.086
flat angles P-C4'-P energy: -65.792
tors. eta vs tors. theta energy: -66.239
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: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -851.755962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.755962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.755962 (E_RNA)
where:
Base-Base interactions energy: -441.885
where: short stacking energy: -275.333
Base-Backbone interact. energy: -1.420
local terms energy: -408.450803
where:
bonds (distance) C4'-P energy: -94.811
bonds (distance) P-C4' energy: -125.402
flat angles C4'-P-C4' energy: -100.443
flat angles P-C4'-P energy: -46.986
tors. eta vs tors. theta energy: -40.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -734.396073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.396073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.396073 (E_RNA)
where:
Base-Base interactions energy: -374.191
where: short stacking energy: -220.253
Base-Backbone interact. energy: 5.441
local terms energy: -365.646384
where:
bonds (distance) C4'-P energy: -118.702
bonds (distance) P-C4' energy: -109.127
flat angles C4'-P-C4' energy: -88.907
flat angles P-C4'-P energy: -42.225
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2366.118141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.118141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.118141 (E_RNA)
where:
Base-Base interactions energy: -1673.300
where: short stacking energy: -650.867
Base-Backbone interact. energy: -3.203
local terms energy: -689.614398
where:
bonds (distance) C4'-P energy: -142.612
bonds (distance) P-C4' energy: -110.754
flat angles C4'-P-C4' energy: -149.658
flat angles P-C4'-P energy: -107.056
tors. eta vs tors. theta energy: -179.534
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: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2288.147565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.147565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.147565 (E_RNA)
where:
Base-Base interactions energy: -1606.257
where: short stacking energy: -646.249
Base-Backbone interact. energy: 0.763
local terms energy: -682.653478
where:
bonds (distance) C4'-P energy: -134.524
bonds (distance) P-C4' energy: -134.026
flat angles C4'-P-C4' energy: -137.745
flat angles P-C4'-P energy: -93.152
tors. eta vs tors. theta energy: -183.206
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: 348
Temperature: 1.000000
Total energy: -2198.356531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.356531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.356531 (E_RNA)
where:
Base-Base interactions energy: -1520.782
where: short stacking energy: -628.147
Base-Backbone interact. energy: -2.234
local terms energy: -675.340682
where:
bonds (distance) C4'-P energy: -126.162
bonds (distance) P-C4' energy: -120.212
flat angles C4'-P-C4' energy: -155.764
flat angles P-C4'-P energy: -84.088
tors. eta vs tors. theta energy: -189.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2090.264377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.264377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.264377 (E_RNA)
where:
Base-Base interactions energy: -1438.310
where: short stacking energy: -618.175
Base-Backbone interact. energy: -1.628
local terms energy: -650.326127
where:
bonds (distance) C4'-P energy: -117.918
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -135.920
flat angles P-C4'-P energy: -102.093
tors. eta vs tors. theta energy: -182.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1985.249256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.249256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.249256 (E_RNA)
where:
Base-Base interactions energy: -1323.631
where: short stacking energy: -613.047
Base-Backbone interact. energy: -2.324
local terms energy: -659.295093
where:
bonds (distance) C4'-P energy: -117.233
bonds (distance) P-C4' energy: -120.762
flat angles C4'-P-C4' energy: -152.136
flat angles P-C4'-P energy: -95.086
tors. eta vs tors. theta energy: -174.078
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: 348
Temperature: 1.150000
Total energy: -1859.739713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.739713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.739713 (E_RNA)
where:
Base-Base interactions energy: -1261.069
where: short stacking energy: -551.075
Base-Backbone interact. energy: -1.968
local terms energy: -596.703155
where:
bonds (distance) C4'-P energy: -114.468
bonds (distance) P-C4' energy: -126.382
flat angles C4'-P-C4' energy: -127.325
flat angles P-C4'-P energy: -76.612
tors. eta vs tors. theta energy: -151.917
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: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1576.725713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.725713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.725713 (E_RNA)
where:
Base-Base interactions energy: -1032.403
where: short stacking energy: -451.089
Base-Backbone interact. energy: -2.764
local terms energy: -541.558660
where:
bonds (distance) C4'-P energy: -113.199
bonds (distance) P-C4' energy: -122.123
flat angles C4'-P-C4' energy: -114.460
flat angles P-C4'-P energy: -72.461
tors. eta vs tors. theta energy: -119.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1247.290372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.290372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.290372 (E_RNA)
where:
Base-Base interactions energy: -773.423
where: short stacking energy: -377.971
Base-Backbone interact. energy: -0.870
local terms energy: -472.996727
where:
bonds (distance) C4'-P energy: -103.247
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -118.628
flat angles P-C4'-P energy: -82.142
tors. eta vs tors. theta energy: -69.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -780.981806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.981806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.981806 (E_RNA)
where:
Base-Base interactions energy: -359.687
where: short stacking energy: -192.182
Base-Backbone interact. energy: -1.288
local terms energy: -420.006544
where:
bonds (distance) C4'-P energy: -111.427
bonds (distance) P-C4' energy: -117.015
flat angles C4'-P-C4' energy: -112.411
flat angles P-C4'-P energy: -64.924
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -727.270458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.270458 (E_RNA)
where:
Base-Base interactions energy: -395.837
where: short stacking energy: -229.538
Base-Backbone interact. energy: 2.097
local terms energy: -333.530544
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -113.043
flat angles C4'-P-C4' energy: -91.956
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: 1.185
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: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2386.582709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.582709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.582709 (E_RNA)
where:
Base-Base interactions energy: -1682.113
where: short stacking energy: -657.597
Base-Backbone interact. energy: -3.957
local terms energy: -700.512317
where:
bonds (distance) C4'-P energy: -133.788
bonds (distance) P-C4' energy: -133.521
flat angles C4'-P-C4' energy: -155.342
flat angles P-C4'-P energy: -104.250
tors. eta vs tors. theta energy: -173.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2279.193355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.193355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.193355 (E_RNA)
where:
Base-Base interactions energy: -1622.305
where: short stacking energy: -646.474
Base-Backbone interact. energy: 1.488
local terms energy: -658.376234
where:
bonds (distance) C4'-P energy: -126.125
bonds (distance) P-C4' energy: -122.544
flat angles C4'-P-C4' energy: -146.367
flat angles P-C4'-P energy: -87.808
tors. eta vs tors. theta energy: -175.533
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: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2205.735649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.735649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.735649 (E_RNA)
where:
Base-Base interactions energy: -1521.545
where: short stacking energy: -642.950
Base-Backbone interact. energy: -4.479
local terms energy: -679.711414
where:
bonds (distance) C4'-P energy: -114.710
bonds (distance) P-C4' energy: -129.489
flat angles C4'-P-C4' energy: -151.812
flat angles P-C4'-P energy: -92.826
tors. eta vs tors. theta energy: -190.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2057.095589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.095589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.095589 (E_RNA)
where:
Base-Base interactions energy: -1387.441
where: short stacking energy: -593.752
Base-Backbone interact. energy: -0.478
local terms energy: -669.176253
where:
bonds (distance) C4'-P energy: -131.861
bonds (distance) P-C4' energy: -112.599
flat angles C4'-P-C4' energy: -155.162
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -184.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1975.166984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.166984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.166984 (E_RNA)
where:
Base-Base interactions energy: -1324.048
where: short stacking energy: -583.330
Base-Backbone interact. energy: -3.789
local terms energy: -647.329979
where:
bonds (distance) C4'-P energy: -112.032
bonds (distance) P-C4' energy: -117.449
flat angles C4'-P-C4' energy: -138.174
flat angles P-C4'-P energy: -96.341
tors. eta vs tors. theta energy: -183.334
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: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1864.460788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.460788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.460788 (E_RNA)
where:
Base-Base interactions energy: -1285.734
where: short stacking energy: -569.067
Base-Backbone interact. energy: -0.101
local terms energy: -578.625601
where:
bonds (distance) C4'-P energy: -108.314
bonds (distance) P-C4' energy: -109.576
flat angles C4'-P-C4' energy: -129.592
flat angles P-C4'-P energy: -70.315
tors. eta vs tors. theta energy: -160.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1589.349967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.349967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.349967 (E_RNA)
where:
Base-Base interactions energy: -1074.621
where: short stacking energy: -459.533
Base-Backbone interact. energy: 7.544
local terms energy: -522.273751
where:
bonds (distance) C4'-P energy: -97.501
bonds (distance) P-C4' energy: -116.080
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -74.098
tors. eta vs tors. theta energy: -115.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1194.754865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.754865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.754865 (E_RNA)
where:
Base-Base interactions energy: -716.953
where: short stacking energy: -327.282
Base-Backbone interact. energy: 1.089
local terms energy: -478.890062
where:
bonds (distance) C4'-P energy: -100.919
bonds (distance) P-C4' energy: -115.509
flat angles C4'-P-C4' energy: -120.048
flat angles P-C4'-P energy: -70.546
tors. eta vs tors. theta energy: -71.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -770.542071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.542071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.542071 (E_RNA)
where:
Base-Base interactions energy: -391.266
where: short stacking energy: -229.045
Base-Backbone interact. energy: 1.405
local terms energy: -380.681002
where:
bonds (distance) C4'-P energy: -99.918
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -52.963
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -719.821542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.821542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.821542 (E_RNA)
where:
Base-Base interactions energy: -346.009
where: short stacking energy: -210.439
Base-Backbone interact. energy: 5.022
local terms energy: -378.833756
where:
bonds (distance) C4'-P energy: -108.437
bonds (distance) P-C4' energy: -110.104
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2385.925415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.925415 (E_RNA)
where:
Base-Base interactions energy: -1692.330
where: short stacking energy: -689.401
Base-Backbone interact. energy: 1.352
local terms energy: -694.947268
where:
bonds (distance) C4'-P energy: -123.936
bonds (distance) P-C4' energy: -134.672
flat angles C4'-P-C4' energy: -148.585
flat angles P-C4'-P energy: -104.786
tors. eta vs tors. theta energy: -182.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2313.508118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.508118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.508118 (E_RNA)
where:
Base-Base interactions energy: -1627.793
where: short stacking energy: -637.603
Base-Backbone interact. energy: -5.331
local terms energy: -680.383479
where:
bonds (distance) C4'-P energy: -124.312
bonds (distance) P-C4' energy: -138.185
flat angles C4'-P-C4' energy: -145.640
flat angles P-C4'-P energy: -88.889
tors. eta vs tors. theta energy: -183.358
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: 350
Temperature: 1.000000
Total energy: -2192.234455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.234455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.234455 (E_RNA)
where:
Base-Base interactions energy: -1505.654
where: short stacking energy: -640.211
Base-Backbone interact. energy: -3.494
local terms energy: -683.087063
where:
bonds (distance) C4'-P energy: -131.375
bonds (distance) P-C4' energy: -134.839
flat angles C4'-P-C4' energy: -145.873
flat angles P-C4'-P energy: -79.915
tors. eta vs tors. theta energy: -191.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2050.558807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.558807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.558807 (E_RNA)
where:
Base-Base interactions energy: -1407.671
where: short stacking energy: -589.772
Base-Backbone interact. energy: 0.944
local terms energy: -643.831801
where:
bonds (distance) C4'-P energy: -121.436
bonds (distance) P-C4' energy: -113.930
flat angles C4'-P-C4' energy: -139.660
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -187.530
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: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1982.259658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.259658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.259658 (E_RNA)
where:
Base-Base interactions energy: -1361.520
where: short stacking energy: -616.430
Base-Backbone interact. energy: 0.171
local terms energy: -620.911525
where:
bonds (distance) C4'-P energy: -114.433
bonds (distance) P-C4' energy: -106.205
flat angles C4'-P-C4' energy: -128.317
flat angles P-C4'-P energy: -87.807
tors. eta vs tors. theta energy: -184.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1860.658350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.658350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.658350 (E_RNA)
where:
Base-Base interactions energy: -1262.576
where: short stacking energy: -559.187
Base-Backbone interact. energy: -1.536
local terms energy: -596.545927
where:
bonds (distance) C4'-P energy: -95.398
bonds (distance) P-C4' energy: -128.484
flat angles C4'-P-C4' energy: -127.082
flat angles P-C4'-P energy: -89.231
tors. eta vs tors. theta energy: -156.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1612.840367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.840367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.840367 (E_RNA)
where:
Base-Base interactions energy: -1035.218
where: short stacking energy: -466.934
Base-Backbone interact. energy: -2.879
local terms energy: -574.743602
where:
bonds (distance) C4'-P energy: -115.954
bonds (distance) P-C4' energy: -117.796
flat angles C4'-P-C4' energy: -132.729
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -117.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1269.373601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.373601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.373601 (E_RNA)
where:
Base-Base interactions energy: -798.625
where: short stacking energy: -373.716
Base-Backbone interact. energy: -0.295
local terms energy: -470.452989
where:
bonds (distance) C4'-P energy: -121.513
bonds (distance) P-C4' energy: -95.991
flat angles C4'-P-C4' energy: -110.525
flat angles P-C4'-P energy: -71.953
tors. eta vs tors. theta energy: -70.470
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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -750.838523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.838523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.838523 (E_RNA)
where:
Base-Base interactions energy: -378.303
where: short stacking energy: -231.512
Base-Backbone interact. energy: 0.213
local terms energy: -372.747902
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -123.079
flat angles C4'-P-C4' energy: -85.166
flat angles P-C4'-P energy: -61.386
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -654.738768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.738768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.738768 (E_RNA)
where:
Base-Base interactions energy: -308.579
where: short stacking energy: -182.211
Base-Backbone interact. energy: 1.095
local terms energy: -347.255216
where:
bonds (distance) C4'-P energy: -104.815
bonds (distance) P-C4' energy: -99.425
flat angles C4'-P-C4' energy: -91.281
flat angles P-C4'-P energy: -61.063
tors. eta vs tors. theta energy: 9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2376.015830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.015830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.015830 (E_RNA)
where:
Base-Base interactions energy: -1689.260
where: short stacking energy: -681.833
Base-Backbone interact. energy: -0.752
local terms energy: -686.003728
where:
bonds (distance) C4'-P energy: -135.310
bonds (distance) P-C4' energy: -121.339
flat angles C4'-P-C4' energy: -145.069
flat angles P-C4'-P energy: -99.676
tors. eta vs tors. theta energy: -184.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2327.856125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.856125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.856125 (E_RNA)
where:
Base-Base interactions energy: -1668.557
where: short stacking energy: -667.194
Base-Backbone interact. energy: -2.162
local terms energy: -657.137040
where:
bonds (distance) C4'-P energy: -122.173
bonds (distance) P-C4' energy: -126.945
flat angles C4'-P-C4' energy: -133.733
flat angles P-C4'-P energy: -85.997
tors. eta vs tors. theta energy: -188.290
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: 351
Temperature: 1.000000
Total energy: -2207.703949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.703949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.703949 (E_RNA)
where:
Base-Base interactions energy: -1530.992
where: short stacking energy: -633.174
Base-Backbone interact. energy: -3.450
local terms energy: -673.261725
where:
bonds (distance) C4'-P energy: -129.786
bonds (distance) P-C4' energy: -120.276
flat angles C4'-P-C4' energy: -137.072
flat angles P-C4'-P energy: -101.579
tors. eta vs tors. theta energy: -184.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2090.824652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.824652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.824652 (E_RNA)
where:
Base-Base interactions energy: -1422.871
where: short stacking energy: -598.248
Base-Backbone interact. energy: -2.522
local terms energy: -665.432403
where:
bonds (distance) C4'-P energy: -130.230
bonds (distance) P-C4' energy: -125.097
flat angles C4'-P-C4' energy: -146.040
flat angles P-C4'-P energy: -90.965
tors. eta vs tors. theta energy: -173.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1989.735362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.735362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.735362 (E_RNA)
where:
Base-Base interactions energy: -1337.279
where: short stacking energy: -597.651
Base-Backbone interact. energy: -2.125
local terms energy: -650.331130
where:
bonds (distance) C4'-P energy: -131.981
bonds (distance) P-C4' energy: -119.954
flat angles C4'-P-C4' energy: -138.784
flat angles P-C4'-P energy: -91.908
tors. eta vs tors. theta energy: -167.703
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: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1829.607497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.607497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.607497 (E_RNA)
where:
Base-Base interactions energy: -1239.047
where: short stacking energy: -544.520
Base-Backbone interact. energy: -0.101
local terms energy: -590.460142
where:
bonds (distance) C4'-P energy: -122.465
bonds (distance) P-C4' energy: -89.931
flat angles C4'-P-C4' energy: -134.370
flat angles P-C4'-P energy: -83.989
tors. eta vs tors. theta energy: -159.705
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: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1557.230484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.230484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.230484 (E_RNA)
where:
Base-Base interactions energy: -1061.724
where: short stacking energy: -477.760
Base-Backbone interact. energy: -1.338
local terms energy: -494.168803
where:
bonds (distance) C4'-P energy: -107.940
bonds (distance) P-C4' energy: -113.952
flat angles C4'-P-C4' energy: -103.883
flat angles P-C4'-P energy: -61.087
tors. eta vs tors. theta energy: -107.307
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: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1241.657143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.657143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.657143 (E_RNA)
where:
Base-Base interactions energy: -780.739
where: short stacking energy: -358.951
Base-Backbone interact. energy: -2.944
local terms energy: -457.973972
where:
bonds (distance) C4'-P energy: -109.866
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -100.634
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -73.151
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: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -768.749614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.749614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.749614 (E_RNA)
where:
Base-Base interactions energy: -397.440
where: short stacking energy: -213.390
Base-Backbone interact. energy: 0.316
local terms energy: -371.625594
where:
bonds (distance) C4'-P energy: -89.315
bonds (distance) P-C4' energy: -124.547
flat angles C4'-P-C4' energy: -94.144
flat angles P-C4'-P energy: -55.545
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -692.248227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.248227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.248227 (E_RNA)
where:
Base-Base interactions energy: -315.120
where: short stacking energy: -192.006
Base-Backbone interact. energy: 2.213
local terms energy: -379.341370
where:
bonds (distance) C4'-P energy: -104.129
bonds (distance) P-C4' energy: -122.096
flat angles C4'-P-C4' energy: -94.671
flat angles P-C4'-P energy: -62.491
tors. eta vs tors. theta energy: 4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2388.694472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.694472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.694472 (E_RNA)
where:
Base-Base interactions energy: -1686.579
where: short stacking energy: -681.890
Base-Backbone interact. energy: -3.033
local terms energy: -699.082174
where:
bonds (distance) C4'-P energy: -130.289
bonds (distance) P-C4' energy: -143.952
flat angles C4'-P-C4' energy: -147.590
flat angles P-C4'-P energy: -95.466
tors. eta vs tors. theta energy: -181.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2294.528184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.528184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.528184 (E_RNA)
where:
Base-Base interactions energy: -1621.260
where: short stacking energy: -653.477
Base-Backbone interact. energy: 0.269
local terms energy: -673.536880
where:
bonds (distance) C4'-P energy: -119.555
bonds (distance) P-C4' energy: -139.568
flat angles C4'-P-C4' energy: -133.200
flat angles P-C4'-P energy: -102.683
tors. eta vs tors. theta energy: -178.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2210.004796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.004796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.004796 (E_RNA)
where:
Base-Base interactions energy: -1544.398
where: short stacking energy: -633.763
Base-Backbone interact. energy: -3.794
local terms energy: -661.812178
where:
bonds (distance) C4'-P energy: -133.914
bonds (distance) P-C4' energy: -116.691
flat angles C4'-P-C4' energy: -132.012
flat angles P-C4'-P energy: -92.512
tors. eta vs tors. theta energy: -186.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2065.426086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.426086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.426086 (E_RNA)
where:
Base-Base interactions energy: -1411.477
where: short stacking energy: -637.718
Base-Backbone interact. energy: -1.035
local terms energy: -652.914289
where:
bonds (distance) C4'-P energy: -107.491
bonds (distance) P-C4' energy: -123.113
flat angles C4'-P-C4' energy: -143.338
flat angles P-C4'-P energy: -99.414
tors. eta vs tors. theta energy: -179.558
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: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1990.768154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.768154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.768154 (E_RNA)
where:
Base-Base interactions energy: -1369.110
where: short stacking energy: -593.142
Base-Backbone interact. energy: 3.341
local terms energy: -624.999093
where:
bonds (distance) C4'-P energy: -98.294
bonds (distance) P-C4' energy: -129.850
flat angles C4'-P-C4' energy: -129.987
flat angles P-C4'-P energy: -89.521
tors. eta vs tors. theta energy: -177.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1796.058872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.058872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.058872 (E_RNA)
where:
Base-Base interactions energy: -1202.110
where: short stacking energy: -506.027
Base-Backbone interact. energy: 2.405
local terms energy: -596.353153
where:
bonds (distance) C4'-P energy: -125.949
bonds (distance) P-C4' energy: -113.513
flat angles C4'-P-C4' energy: -128.062
flat angles P-C4'-P energy: -89.002
tors. eta vs tors. theta energy: -139.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1595.827444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.827444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.827444 (E_RNA)
where:
Base-Base interactions energy: -1047.464
where: short stacking energy: -450.676
Base-Backbone interact. energy: -1.977
local terms energy: -546.386143
where:
bonds (distance) C4'-P energy: -116.849
bonds (distance) P-C4' energy: -118.996
flat angles C4'-P-C4' energy: -109.732
flat angles P-C4'-P energy: -86.054
tors. eta vs tors. theta energy: -114.755
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: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1268.519551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.519551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.519551 (E_RNA)
where:
Base-Base interactions energy: -845.674
where: short stacking energy: -395.071
Base-Backbone interact. energy: -1.068
local terms energy: -421.777155
where:
bonds (distance) C4'-P energy: -107.588
bonds (distance) P-C4' energy: -101.760
flat angles C4'-P-C4' energy: -89.055
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: -67.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -783.784153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.784153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.784153 (E_RNA)
where:
Base-Base interactions energy: -406.691
where: short stacking energy: -211.864
Base-Backbone interact. energy: -3.614
local terms energy: -373.479708
where:
bonds (distance) C4'-P energy: -110.543
bonds (distance) P-C4' energy: -99.344
flat angles C4'-P-C4' energy: -90.446
flat angles P-C4'-P energy: -73.595
tors. eta vs tors. theta energy: 0.448
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: 352
Temperature: 1.350000
Total energy: -699.798251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.798251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.798251 (E_RNA)
where:
Base-Base interactions energy: -338.199
where: short stacking energy: -203.275
Base-Backbone interact. energy: -2.981
local terms energy: -358.618517
where:
bonds (distance) C4'-P energy: -105.029
bonds (distance) P-C4' energy: -113.272
flat angles C4'-P-C4' energy: -83.376
flat angles P-C4'-P energy: -56.107
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2399.172029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.172029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.172029 (E_RNA)
where:
Base-Base interactions energy: -1694.169
where: short stacking energy: -670.691
Base-Backbone interact. energy: -1.953
local terms energy: -703.049944
where:
bonds (distance) C4'-P energy: -126.470
bonds (distance) P-C4' energy: -134.473
flat angles C4'-P-C4' energy: -148.717
flat angles P-C4'-P energy: -115.847
tors. eta vs tors. theta energy: -177.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2321.703212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.703212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.703212 (E_RNA)
where:
Base-Base interactions energy: -1641.759
where: short stacking energy: -664.384
Base-Backbone interact. energy: -3.609
local terms energy: -676.335583
where:
bonds (distance) C4'-P energy: -137.002
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -140.002
flat angles P-C4'-P energy: -98.889
tors. eta vs tors. theta energy: -181.451
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: 353
Temperature: 1.000000
Total energy: -2213.057205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.057205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.057205 (E_RNA)
where:
Base-Base interactions energy: -1516.395
where: short stacking energy: -641.638
Base-Backbone interact. energy: -0.957
local terms energy: -695.704971
where:
bonds (distance) C4'-P energy: -125.435
bonds (distance) P-C4' energy: -124.914
flat angles C4'-P-C4' energy: -154.920
flat angles P-C4'-P energy: -109.013
tors. eta vs tors. theta energy: -181.423
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: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2061.129886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.129886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.129886 (E_RNA)
where:
Base-Base interactions energy: -1418.607
where: short stacking energy: -604.693
Base-Backbone interact. energy: -1.875
local terms energy: -640.647744
where:
bonds (distance) C4'-P energy: -108.243
bonds (distance) P-C4' energy: -115.030
flat angles C4'-P-C4' energy: -138.063
flat angles P-C4'-P energy: -97.034
tors. eta vs tors. theta energy: -182.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1972.224976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.224976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.224976 (E_RNA)
where:
Base-Base interactions energy: -1323.833
where: short stacking energy: -579.774
Base-Backbone interact. energy: -1.171
local terms energy: -647.220826
where:
bonds (distance) C4'-P energy: -109.997
bonds (distance) P-C4' energy: -128.596
flat angles C4'-P-C4' energy: -146.552
flat angles P-C4'-P energy: -93.765
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: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1802.499362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.499362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.499362 (E_RNA)
where:
Base-Base interactions energy: -1226.365
where: short stacking energy: -541.238
Base-Backbone interact. energy: -1.189
local terms energy: -574.945726
where:
bonds (distance) C4'-P energy: -111.412
bonds (distance) P-C4' energy: -99.164
flat angles C4'-P-C4' energy: -122.300
flat angles P-C4'-P energy: -87.232
tors. eta vs tors. theta energy: -154.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1608.435675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.435675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.435675 (E_RNA)
where:
Base-Base interactions energy: -1066.310
where: short stacking energy: -493.953
Base-Backbone interact. energy: -0.057
local terms energy: -542.068030
where:
bonds (distance) C4'-P energy: -111.809
bonds (distance) P-C4' energy: -120.331
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -67.731
tors. eta vs tors. theta energy: -125.671
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: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1309.525338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.525338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.525338 (E_RNA)
where:
Base-Base interactions energy: -841.536
where: short stacking energy: -377.070
Base-Backbone interact. energy: -1.359
local terms energy: -466.629820
where:
bonds (distance) C4'-P energy: -106.722
bonds (distance) P-C4' energy: -111.592
flat angles C4'-P-C4' energy: -109.952
flat angles P-C4'-P energy: -63.469
tors. eta vs tors. theta energy: -74.896
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: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -847.995327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.995327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.995327 (E_RNA)
where:
Base-Base interactions energy: -463.926
where: short stacking energy: -233.070
Base-Backbone interact. energy: -1.258
local terms energy: -382.810716
where:
bonds (distance) C4'-P energy: -98.702
bonds (distance) P-C4' energy: -115.507
flat angles C4'-P-C4' energy: -95.676
flat angles P-C4'-P energy: -53.314
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -691.267955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.267955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.267955 (E_RNA)
where:
Base-Base interactions energy: -346.298
where: short stacking energy: -215.499
Base-Backbone interact. energy: 8.604
local terms energy: -353.574069
where:
bonds (distance) C4'-P energy: -92.801
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -77.934
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2391.458778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.458778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.458778 (E_RNA)
where:
Base-Base interactions energy: -1668.543
where: short stacking energy: -689.956
Base-Backbone interact. energy: -3.096
local terms energy: -719.819776
where:
bonds (distance) C4'-P energy: -130.885
bonds (distance) P-C4' energy: -137.821
flat angles C4'-P-C4' energy: -149.876
flat angles P-C4'-P energy: -108.874
tors. eta vs tors. theta energy: -192.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2279.821165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.821165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.821165 (E_RNA)
where:
Base-Base interactions energy: -1611.632
where: short stacking energy: -651.329
Base-Backbone interact. energy: 1.150
local terms energy: -669.339613
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -121.449
flat angles C4'-P-C4' energy: -149.136
flat angles P-C4'-P energy: -96.821
tors. eta vs tors. theta energy: -178.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2187.817705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.817705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.817705 (E_RNA)
where:
Base-Base interactions energy: -1514.826
where: short stacking energy: -639.437
Base-Backbone interact. energy: -2.255
local terms energy: -670.736771
where:
bonds (distance) C4'-P energy: -106.136
bonds (distance) P-C4' energy: -128.106
flat angles C4'-P-C4' energy: -135.112
flat angles P-C4'-P energy: -104.495
tors. eta vs tors. theta energy: -196.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2116.637869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.637869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.637869 (E_RNA)
where:
Base-Base interactions energy: -1431.490
where: short stacking energy: -622.732
Base-Backbone interact. energy: -2.672
local terms energy: -682.474919
where:
bonds (distance) C4'-P energy: -119.876
bonds (distance) P-C4' energy: -126.720
flat angles C4'-P-C4' energy: -143.080
flat angles P-C4'-P energy: -108.052
tors. eta vs tors. theta energy: -184.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1974.015162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.015162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.015162 (E_RNA)
where:
Base-Base interactions energy: -1343.891
where: short stacking energy: -591.462
Base-Backbone interact. energy: 0.372
local terms energy: -630.495725
where:
bonds (distance) C4'-P energy: -114.646
bonds (distance) P-C4' energy: -115.887
flat angles C4'-P-C4' energy: -135.393
flat angles P-C4'-P energy: -92.842
tors. eta vs tors. theta energy: -171.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1848.881572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.881572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.881572 (E_RNA)
where:
Base-Base interactions energy: -1248.508
where: short stacking energy: -543.207
Base-Backbone interact. energy: -1.726
local terms energy: -598.647097
where:
bonds (distance) C4'-P energy: -114.084
bonds (distance) P-C4' energy: -115.477
flat angles C4'-P-C4' energy: -139.133
flat angles P-C4'-P energy: -76.305
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: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1580.326855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.326855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.326855 (E_RNA)
where:
Base-Base interactions energy: -1061.878
where: short stacking energy: -460.869
Base-Backbone interact. energy: 2.618
local terms energy: -521.066201
where:
bonds (distance) C4'-P energy: -100.132
bonds (distance) P-C4' energy: -116.557
flat angles C4'-P-C4' energy: -112.372
flat angles P-C4'-P energy: -72.385
tors. eta vs tors. theta energy: -119.620
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: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1229.838856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.838856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.838856 (E_RNA)
where:
Base-Base interactions energy: -786.876
where: short stacking energy: -367.503
Base-Backbone interact. energy: -0.004
local terms energy: -442.959093
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -114.392
flat angles C4'-P-C4' energy: -103.140
flat angles P-C4'-P energy: -67.952
tors. eta vs tors. theta energy: -58.839
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: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -884.827989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.827989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.827989 (E_RNA)
where:
Base-Base interactions energy: -485.050
where: short stacking energy: -248.322
Base-Backbone interact. energy: 1.148
local terms energy: -400.925609
where:
bonds (distance) C4'-P energy: -103.050
bonds (distance) P-C4' energy: -106.158
flat angles C4'-P-C4' energy: -112.697
flat angles P-C4'-P energy: -57.655
tors. eta vs tors. theta energy: -21.365
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: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -687.950002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.950002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.950002 (E_RNA)
where:
Base-Base interactions energy: -318.763
where: short stacking energy: -189.047
Base-Backbone interact. energy: -0.840
local terms energy: -368.347020
where:
bonds (distance) C4'-P energy: -95.414
bonds (distance) P-C4' energy: -109.695
flat angles C4'-P-C4' energy: -111.545
flat angles P-C4'-P energy: -50.170
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2397.591662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.591662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.591662 (E_RNA)
where:
Base-Base interactions energy: -1679.709
where: short stacking energy: -685.678
Base-Backbone interact. energy: -0.240
local terms energy: -717.642889
where:
bonds (distance) C4'-P energy: -141.791
bonds (distance) P-C4' energy: -147.571
flat angles C4'-P-C4' energy: -138.951
flat angles P-C4'-P energy: -98.581
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: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2271.906993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.906993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.906993 (E_RNA)
where:
Base-Base interactions energy: -1593.652
where: short stacking energy: -633.251
Base-Backbone interact. energy: -7.148
local terms energy: -671.106615
where:
bonds (distance) C4'-P energy: -119.908
bonds (distance) P-C4' energy: -135.775
flat angles C4'-P-C4' energy: -135.919
flat angles P-C4'-P energy: -96.486
tors. eta vs tors. theta energy: -183.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2193.607479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.607479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.607479 (E_RNA)
where:
Base-Base interactions energy: -1552.312
where: short stacking energy: -605.979
Base-Backbone interact. energy: -0.808
local terms energy: -640.487676
where:
bonds (distance) C4'-P energy: -118.509
bonds (distance) P-C4' energy: -130.871
flat angles C4'-P-C4' energy: -146.618
flat angles P-C4'-P energy: -74.384
tors. eta vs tors. theta energy: -170.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2073.614400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.614400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.614400 (E_RNA)
where:
Base-Base interactions energy: -1420.577
where: short stacking energy: -608.503
Base-Backbone interact. energy: -4.059
local terms energy: -648.978270
where:
bonds (distance) C4'-P energy: -109.653
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -129.679
flat angles P-C4'-P energy: -85.790
tors. eta vs tors. theta energy: -191.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1998.093073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.093073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.093073 (E_RNA)
where:
Base-Base interactions energy: -1381.145
where: short stacking energy: -579.888
Base-Backbone interact. energy: 0.950
local terms energy: -617.898139
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -113.041
flat angles C4'-P-C4' energy: -132.643
flat angles P-C4'-P energy: -78.331
tors. eta vs tors. theta energy: -173.167
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: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1873.840466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.840466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.840466 (E_RNA)
where:
Base-Base interactions energy: -1279.001
where: short stacking energy: -571.384
Base-Backbone interact. energy: -5.095
local terms energy: -589.744441
where:
bonds (distance) C4'-P energy: -97.231
bonds (distance) P-C4' energy: -118.955
flat angles C4'-P-C4' energy: -129.504
flat angles P-C4'-P energy: -83.396
tors. eta vs tors. theta energy: -160.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1596.266779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.266779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.266779 (E_RNA)
where:
Base-Base interactions energy: -1086.614
where: short stacking energy: -459.646
Base-Backbone interact. energy: -2.657
local terms energy: -506.995632
where:
bonds (distance) C4'-P energy: -89.866
bonds (distance) P-C4' energy: -107.235
flat angles C4'-P-C4' energy: -122.105
flat angles P-C4'-P energy: -71.032
tors. eta vs tors. theta energy: -116.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1203.304359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.304359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.304359 (E_RNA)
where:
Base-Base interactions energy: -745.577
where: short stacking energy: -356.337
Base-Backbone interact. energy: -2.795
local terms energy: -454.932054
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -127.403
flat angles C4'-P-C4' energy: -103.156
flat angles P-C4'-P energy: -65.103
tors. eta vs tors. theta energy: -57.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -844.029953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.029953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.029953 (E_RNA)
where:
Base-Base interactions energy: -462.589
where: short stacking energy: -251.056
Base-Backbone interact. energy: -0.368
local terms energy: -381.072773
where:
bonds (distance) C4'-P energy: -81.010
bonds (distance) P-C4' energy: -121.856
flat angles C4'-P-C4' energy: -93.368
flat angles P-C4'-P energy: -68.369
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -679.317655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.317655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.317655 (E_RNA)
where:
Base-Base interactions energy: -350.234
where: short stacking energy: -190.500
Base-Backbone interact. energy: 0.401
local terms energy: -329.484075
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -101.958
flat angles C4'-P-C4' energy: -87.148
flat angles P-C4'-P energy: -47.095
tors. eta vs tors. theta energy: 10.382
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: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2368.444212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.444212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.444212 (E_RNA)
where:
Base-Base interactions energy: -1688.620
where: short stacking energy: -688.023
Base-Backbone interact. energy: -1.330
local terms energy: -678.494290
where:
bonds (distance) C4'-P energy: -129.957
bonds (distance) P-C4' energy: -115.461
flat angles C4'-P-C4' energy: -143.994
flat angles P-C4'-P energy: -96.905
tors. eta vs tors. theta energy: -192.177
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: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2274.670539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.670539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.670539 (E_RNA)
where:
Base-Base interactions energy: -1612.879
where: short stacking energy: -614.764
Base-Backbone interact. energy: -3.817
local terms energy: -657.974827
where:
bonds (distance) C4'-P energy: -121.410
bonds (distance) P-C4' energy: -123.909
flat angles C4'-P-C4' energy: -139.252
flat angles P-C4'-P energy: -96.371
tors. eta vs tors. theta energy: -177.033
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: 356
Temperature: 1.000000
Total energy: -2197.934336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.934336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.934336 (E_RNA)
where:
Base-Base interactions energy: -1508.469
where: short stacking energy: -636.420
Base-Backbone interact. energy: -4.076
local terms energy: -685.389983
where:
bonds (distance) C4'-P energy: -134.662
bonds (distance) P-C4' energy: -136.896
flat angles C4'-P-C4' energy: -133.506
flat angles P-C4'-P energy: -92.378
tors. eta vs tors. theta energy: -187.948
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: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2058.430375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.430375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.430375 (E_RNA)
where:
Base-Base interactions energy: -1388.748
where: short stacking energy: -604.132
Base-Backbone interact. energy: -2.668
local terms energy: -667.014119
where:
bonds (distance) C4'-P energy: -136.050
bonds (distance) P-C4' energy: -111.327
flat angles C4'-P-C4' energy: -144.922
flat angles P-C4'-P energy: -91.012
tors. eta vs tors. theta energy: -183.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2009.265515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.265515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.265515 (E_RNA)
where:
Base-Base interactions energy: -1369.399
where: short stacking energy: -586.548
Base-Backbone interact. energy: 1.264
local terms energy: -641.130891
where:
bonds (distance) C4'-P energy: -125.947
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -139.216
flat angles P-C4'-P energy: -81.040
tors. eta vs tors. theta energy: -179.165
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: 356
Temperature: 1.150000
Total energy: -1830.986873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.986873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.986873 (E_RNA)
where:
Base-Base interactions energy: -1242.868
where: short stacking energy: -545.541
Base-Backbone interact. energy: -0.780
local terms energy: -587.338994
where:
bonds (distance) C4'-P energy: -105.194
bonds (distance) P-C4' energy: -114.824
flat angles C4'-P-C4' energy: -142.770
flat angles P-C4'-P energy: -78.885
tors. eta vs tors. theta energy: -145.666
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: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1658.189594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.189594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.189594 (E_RNA)
where:
Base-Base interactions energy: -1106.348
where: short stacking energy: -481.836
Base-Backbone interact. energy: -2.478
local terms energy: -549.363446
where:
bonds (distance) C4'-P energy: -106.215
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -122.668
flat angles P-C4'-P energy: -80.566
tors. eta vs tors. theta energy: -132.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1214.949683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.949683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.949683 (E_RNA)
where:
Base-Base interactions energy: -751.538
where: short stacking energy: -344.448
Base-Backbone interact. energy: 2.972
local terms energy: -466.383678
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -98.795
flat angles C4'-P-C4' energy: -119.662
flat angles P-C4'-P energy: -71.238
tors. eta vs tors. theta energy: -64.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -779.443029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.443029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.443029 (E_RNA)
where:
Base-Base interactions energy: -396.130
where: short stacking energy: -218.261
Base-Backbone interact. energy: -2.445
local terms energy: -380.868495
where:
bonds (distance) C4'-P energy: -92.735
bonds (distance) P-C4' energy: -109.325
flat angles C4'-P-C4' energy: -110.883
flat angles P-C4'-P energy: -59.360
tors. eta vs tors. theta energy: -8.565
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: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -679.139078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.139078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.139078 (E_RNA)
where:
Base-Base interactions energy: -351.856
where: short stacking energy: -228.981
Base-Backbone interact. energy: -0.971
local terms energy: -326.311438
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -112.185
flat angles C4'-P-C4' energy: -71.331
flat angles P-C4'-P energy: -46.644
tors. eta vs tors. theta energy: 4.035
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2378.147201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.147201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.147201 (E_RNA)
where:
Base-Base interactions energy: -1673.526
where: short stacking energy: -698.877
Base-Backbone interact. energy: 0.354
local terms energy: -704.974545
where:
bonds (distance) C4'-P energy: -136.853
bonds (distance) P-C4' energy: -130.210
flat angles C4'-P-C4' energy: -142.471
flat angles P-C4'-P energy: -102.186
tors. eta vs tors. theta energy: -193.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2280.601697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.601697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.601697 (E_RNA)
where:
Base-Base interactions energy: -1602.877
where: short stacking energy: -639.450
Base-Backbone interact. energy: 0.012
local terms energy: -677.737398
where:
bonds (distance) C4'-P energy: -110.517
bonds (distance) P-C4' energy: -142.855
flat angles C4'-P-C4' energy: -142.053
flat angles P-C4'-P energy: -103.957
tors. eta vs tors. theta energy: -178.357
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: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2185.270307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.270307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.270307 (E_RNA)
where:
Base-Base interactions energy: -1506.306
where: short stacking energy: -624.606
Base-Backbone interact. energy: 3.030
local terms energy: -681.994349
where:
bonds (distance) C4'-P energy: -108.507
bonds (distance) P-C4' energy: -124.524
flat angles C4'-P-C4' energy: -146.051
flat angles P-C4'-P energy: -103.289
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: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2089.963163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.963163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.963163 (E_RNA)
where:
Base-Base interactions energy: -1428.404
where: short stacking energy: -577.583
Base-Backbone interact. energy: -3.686
local terms energy: -657.873080
where:
bonds (distance) C4'-P energy: -128.716
bonds (distance) P-C4' energy: -121.693
flat angles C4'-P-C4' energy: -143.120
flat angles P-C4'-P energy: -89.805
tors. eta vs tors. theta energy: -174.540
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: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2052.910113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.910113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.910113 (E_RNA)
where:
Base-Base interactions energy: -1408.551
where: short stacking energy: -589.363
Base-Backbone interact. energy: 1.943
local terms energy: -646.301727
where:
bonds (distance) C4'-P energy: -108.092
bonds (distance) P-C4' energy: -123.529
flat angles C4'-P-C4' energy: -151.482
flat angles P-C4'-P energy: -88.004
tors. eta vs tors. theta energy: -175.194
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: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1860.538122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.538122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.538122 (E_RNA)
where:
Base-Base interactions energy: -1256.019
where: short stacking energy: -571.428
Base-Backbone interact. energy: -1.840
local terms energy: -602.679249
where:
bonds (distance) C4'-P energy: -110.194
bonds (distance) P-C4' energy: -110.843
flat angles C4'-P-C4' energy: -136.124
flat angles P-C4'-P energy: -80.526
tors. eta vs tors. theta energy: -164.993
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1619.150291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.150291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.150291 (E_RNA)
where:
Base-Base interactions energy: -1073.787
where: short stacking energy: -471.707
Base-Backbone interact. energy: -0.936
local terms energy: -544.426299
where:
bonds (distance) C4'-P energy: -110.946
bonds (distance) P-C4' energy: -121.679
flat angles C4'-P-C4' energy: -132.151
flat angles P-C4'-P energy: -64.895
tors. eta vs tors. theta energy: -114.756
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: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1278.058408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.058408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.058408 (E_RNA)
where:
Base-Base interactions energy: -829.877
where: short stacking energy: -351.022
Base-Backbone interact. energy: 6.808
local terms energy: -454.989087
where:
bonds (distance) C4'-P energy: -106.478
bonds (distance) P-C4' energy: -106.441
flat angles C4'-P-C4' energy: -106.887
flat angles P-C4'-P energy: -63.089
tors. eta vs tors. theta energy: -72.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -787.847877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.847877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.847877 (E_RNA)
where:
Base-Base interactions energy: -402.411
where: short stacking energy: -231.321
Base-Backbone interact. energy: 3.702
local terms energy: -389.138398
where:
bonds (distance) C4'-P energy: -103.709
bonds (distance) P-C4' energy: -120.070
flat angles C4'-P-C4' energy: -91.873
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -617.161634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.161634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.161634 (E_RNA)
where:
Base-Base interactions energy: -280.334
where: short stacking energy: -191.015
Base-Backbone interact. energy: 5.515
local terms energy: -342.342321
where:
bonds (distance) C4'-P energy: -74.926
bonds (distance) P-C4' energy: -116.410
flat angles C4'-P-C4' energy: -88.595
flat angles P-C4'-P energy: -60.541
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2352.962382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.962382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.962382 (E_RNA)
where:
Base-Base interactions energy: -1680.362
where: short stacking energy: -704.481
Base-Backbone interact. energy: -2.699
local terms energy: -669.900678
where:
bonds (distance) C4'-P energy: -130.718
bonds (distance) P-C4' energy: -122.310
flat angles C4'-P-C4' energy: -139.935
flat angles P-C4'-P energy: -95.408
tors. eta vs tors. theta energy: -181.529
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: 358
Temperature: 0.950000
Total energy: -2255.528241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.528241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.528241 (E_RNA)
where:
Base-Base interactions energy: -1576.269
where: short stacking energy: -650.688
Base-Backbone interact. energy: -2.748
local terms energy: -676.510470
where:
bonds (distance) C4'-P energy: -128.033
bonds (distance) P-C4' energy: -137.216
flat angles C4'-P-C4' energy: -148.217
flat angles P-C4'-P energy: -88.001
tors. eta vs tors. theta energy: -175.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2169.508097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.508097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.508097 (E_RNA)
where:
Base-Base interactions energy: -1505.417
where: short stacking energy: -618.529
Base-Backbone interact. energy: -2.512
local terms energy: -661.578636
where:
bonds (distance) C4'-P energy: -133.312
bonds (distance) P-C4' energy: -102.801
flat angles C4'-P-C4' energy: -151.557
flat angles P-C4'-P energy: -85.472
tors. eta vs tors. theta energy: -188.436
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: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2077.697027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.697027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.697027 (E_RNA)
where:
Base-Base interactions energy: -1436.349
where: short stacking energy: -618.459
Base-Backbone interact. energy: 0.770
local terms energy: -642.118537
where:
bonds (distance) C4'-P energy: -116.977
bonds (distance) P-C4' energy: -112.002
flat angles C4'-P-C4' energy: -149.593
flat angles P-C4'-P energy: -87.384
tors. eta vs tors. theta energy: -176.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2016.668949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.668949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.668949 (E_RNA)
where:
Base-Base interactions energy: -1390.020
where: short stacking energy: -611.686
Base-Backbone interact. energy: -0.210
local terms energy: -626.438941
where:
bonds (distance) C4'-P energy: -111.250
bonds (distance) P-C4' energy: -110.904
flat angles C4'-P-C4' energy: -145.480
flat angles P-C4'-P energy: -78.791
tors. eta vs tors. theta energy: -180.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1892.290079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.290079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.290079 (E_RNA)
where:
Base-Base interactions energy: -1258.945
where: short stacking energy: -568.894
Base-Backbone interact. energy: -2.957
local terms energy: -630.387370
where:
bonds (distance) C4'-P energy: -101.917
bonds (distance) P-C4' energy: -128.266
flat angles C4'-P-C4' energy: -145.274
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -177.938
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: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1614.910475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.910475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.910475 (E_RNA)
where:
Base-Base interactions energy: -1093.766
where: short stacking energy: -473.196
Base-Backbone interact. energy: -1.706
local terms energy: -519.438331
where:
bonds (distance) C4'-P energy: -101.658
bonds (distance) P-C4' energy: -110.949
flat angles C4'-P-C4' energy: -108.986
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -121.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1319.539728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.539728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.539728 (E_RNA)
where:
Base-Base interactions energy: -858.717
where: short stacking energy: -362.933
Base-Backbone interact. energy: 0.157
local terms energy: -460.979295
where:
bonds (distance) C4'-P energy: -106.394
bonds (distance) P-C4' energy: -85.307
flat angles C4'-P-C4' energy: -120.438
flat angles P-C4'-P energy: -82.851
tors. eta vs tors. theta energy: -65.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -804.190037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.190037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.190037 (E_RNA)
where:
Base-Base interactions energy: -384.019
where: short stacking energy: -205.070
Base-Backbone interact. energy: -2.025
local terms energy: -418.146043
where:
bonds (distance) C4'-P energy: -116.755
bonds (distance) P-C4' energy: -125.705
flat angles C4'-P-C4' energy: -116.980
flat angles P-C4'-P energy: -67.982
tors. eta vs tors. theta energy: 9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -631.881825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.881825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.881825 (E_RNA)
where:
Base-Base interactions energy: -286.110
where: short stacking energy: -146.174
Base-Backbone interact. energy: -0.436
local terms energy: -345.335788
where:
bonds (distance) C4'-P energy: -102.732
bonds (distance) P-C4' energy: -111.370
flat angles C4'-P-C4' energy: -93.055
flat angles P-C4'-P energy: -68.884
tors. eta vs tors. theta energy: 30.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2356.308782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.308782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.308782 (E_RNA)
where:
Base-Base interactions energy: -1669.311
where: short stacking energy: -678.320
Base-Backbone interact. energy: -0.347
local terms energy: -686.650987
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -129.476
flat angles C4'-P-C4' energy: -142.582
flat angles P-C4'-P energy: -107.629
tors. eta vs tors. theta energy: -183.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2282.675775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.675775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.675775 (E_RNA)
where:
Base-Base interactions energy: -1603.022
where: short stacking energy: -641.160
Base-Backbone interact. energy: -0.508
local terms energy: -679.145925
where:
bonds (distance) C4'-P energy: -130.268
bonds (distance) P-C4' energy: -126.553
flat angles C4'-P-C4' energy: -146.882
flat angles P-C4'-P energy: -94.367
tors. eta vs tors. theta energy: -181.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2176.149776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.149776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.149776 (E_RNA)
where:
Base-Base interactions energy: -1505.528
where: short stacking energy: -628.074
Base-Backbone interact. energy: -3.100
local terms energy: -667.521861
where:
bonds (distance) C4'-P energy: -114.940
bonds (distance) P-C4' energy: -124.221
flat angles C4'-P-C4' energy: -156.843
flat angles P-C4'-P energy: -96.595
tors. eta vs tors. theta energy: -174.922
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: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2099.525096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.525096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.525096 (E_RNA)
where:
Base-Base interactions energy: -1426.313
where: short stacking energy: -602.416
Base-Backbone interact. energy: -2.553
local terms energy: -670.658507
where:
bonds (distance) C4'-P energy: -115.129
bonds (distance) P-C4' energy: -134.094
flat angles C4'-P-C4' energy: -145.804
flat angles P-C4'-P energy: -96.798
tors. eta vs tors. theta energy: -178.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2015.553823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.553823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.553823 (E_RNA)
where:
Base-Base interactions energy: -1368.803
where: short stacking energy: -597.752
Base-Backbone interact. energy: -1.027
local terms energy: -645.723259
where:
bonds (distance) C4'-P energy: -125.420
bonds (distance) P-C4' energy: -124.496
flat angles C4'-P-C4' energy: -134.440
flat angles P-C4'-P energy: -82.711
tors. eta vs tors. theta energy: -178.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1835.044527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.044527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.044527 (E_RNA)
where:
Base-Base interactions energy: -1244.831
where: short stacking energy: -541.185
Base-Backbone interact. energy: -1.062
local terms energy: -589.151495
where:
bonds (distance) C4'-P energy: -119.414
bonds (distance) P-C4' energy: -102.913
flat angles C4'-P-C4' energy: -122.433
flat angles P-C4'-P energy: -84.727
tors. eta vs tors. theta energy: -159.665
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: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1581.355202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.355202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.355202 (E_RNA)
where:
Base-Base interactions energy: -1078.607
where: short stacking energy: -465.084
Base-Backbone interact. energy: -1.407
local terms energy: -501.341573
where:
bonds (distance) C4'-P energy: -116.645
bonds (distance) P-C4' energy: -117.002
flat angles C4'-P-C4' energy: -109.897
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -100.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1253.992338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.992338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.992338 (E_RNA)
where:
Base-Base interactions energy: -772.569
where: short stacking energy: -341.875
Base-Backbone interact. energy: -0.753
local terms energy: -480.670907
where:
bonds (distance) C4'-P energy: -101.921
bonds (distance) P-C4' energy: -116.721
flat angles C4'-P-C4' energy: -115.121
flat angles P-C4'-P energy: -86.230
tors. eta vs tors. theta energy: -60.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -813.171583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.171583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.171583 (E_RNA)
where:
Base-Base interactions energy: -440.942
where: short stacking energy: -245.752
Base-Backbone interact. energy: -1.663
local terms energy: -370.566865
where:
bonds (distance) C4'-P energy: -114.948
bonds (distance) P-C4' energy: -93.287
flat angles C4'-P-C4' energy: -108.663
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -665.680985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.680985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.680985 (E_RNA)
where:
Base-Base interactions energy: -332.629
where: short stacking energy: -207.984
Base-Backbone interact. energy: 4.074
local terms energy: -337.126834
where:
bonds (distance) C4'-P energy: -101.690
bonds (distance) P-C4' energy: -121.350
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: 2.657
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: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2390.105872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.105872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.105872 (E_RNA)
where:
Base-Base interactions energy: -1712.630
where: short stacking energy: -701.402
Base-Backbone interact. energy: -4.668
local terms energy: -672.807332
where:
bonds (distance) C4'-P energy: -122.797
bonds (distance) P-C4' energy: -115.997
flat angles C4'-P-C4' energy: -142.656
flat angles P-C4'-P energy: -99.295
tors. eta vs tors. theta energy: -192.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2281.642094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.642094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.642094 (E_RNA)
where:
Base-Base interactions energy: -1625.140
where: short stacking energy: -644.350
Base-Backbone interact. energy: -2.982
local terms energy: -653.520173
where:
bonds (distance) C4'-P energy: -119.974
bonds (distance) P-C4' energy: -132.756
flat angles C4'-P-C4' energy: -147.973
flat angles P-C4'-P energy: -84.913
tors. eta vs tors. theta energy: -167.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2183.287089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.287089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.287089 (E_RNA)
where:
Base-Base interactions energy: -1536.372
where: short stacking energy: -621.185
Base-Backbone interact. energy: -3.373
local terms energy: -643.542477
where:
bonds (distance) C4'-P energy: -114.465
bonds (distance) P-C4' energy: -119.862
flat angles C4'-P-C4' energy: -145.285
flat angles P-C4'-P energy: -87.874
tors. eta vs tors. theta energy: -176.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2078.634603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.634603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.634603 (E_RNA)
where:
Base-Base interactions energy: -1422.863
where: short stacking energy: -633.020
Base-Backbone interact. energy: -2.406
local terms energy: -653.365150
where:
bonds (distance) C4'-P energy: -113.338
bonds (distance) P-C4' energy: -114.385
flat angles C4'-P-C4' energy: -151.743
flat angles P-C4'-P energy: -94.784
tors. eta vs tors. theta energy: -179.116
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2024.282957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.282957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.282957 (E_RNA)
where:
Base-Base interactions energy: -1395.302
where: short stacking energy: -607.836
Base-Backbone interact. energy: -2.862
local terms energy: -626.118637
where:
bonds (distance) C4'-P energy: -106.056
bonds (distance) P-C4' energy: -136.135
flat angles C4'-P-C4' energy: -132.636
flat angles P-C4'-P energy: -75.861
tors. eta vs tors. theta energy: -175.430
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: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1866.447930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.447930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.447930 (E_RNA)
where:
Base-Base interactions energy: -1278.510
where: short stacking energy: -558.095
Base-Backbone interact. energy: -0.269
local terms energy: -587.669709
where:
bonds (distance) C4'-P energy: -102.176
bonds (distance) P-C4' energy: -109.281
flat angles C4'-P-C4' energy: -127.490
flat angles P-C4'-P energy: -88.561
tors. eta vs tors. theta energy: -160.161
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: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1553.157293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.157293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.157293 (E_RNA)
where:
Base-Base interactions energy: -1049.817
where: short stacking energy: -450.716
Base-Backbone interact. energy: -0.314
local terms energy: -503.026238
where:
bonds (distance) C4'-P energy: -104.218
bonds (distance) P-C4' energy: -116.251
flat angles C4'-P-C4' energy: -100.445
flat angles P-C4'-P energy: -70.394
tors. eta vs tors. theta energy: -111.718
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: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1250.759398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.759398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.759398 (E_RNA)
where:
Base-Base interactions energy: -784.851
where: short stacking energy: -366.621
Base-Backbone interact. energy: 0.519
local terms energy: -466.427560
where:
bonds (distance) C4'-P energy: -104.668
bonds (distance) P-C4' energy: -101.132
flat angles C4'-P-C4' energy: -119.801
flat angles P-C4'-P energy: -63.494
tors. eta vs tors. theta energy: -77.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -763.667988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.667988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.667988 (E_RNA)
where:
Base-Base interactions energy: -401.885
where: short stacking energy: -231.885
Base-Backbone interact. energy: 7.099
local terms energy: -368.881404
where:
bonds (distance) C4'-P energy: -98.181
bonds (distance) P-C4' energy: -100.311
flat angles C4'-P-C4' energy: -106.526
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: 2.996
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: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -748.198033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.198033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.198033 (E_RNA)
where:
Base-Base interactions energy: -394.933
where: short stacking energy: -248.920
Base-Backbone interact. energy: 3.054
local terms energy: -356.318436
where:
bonds (distance) C4'-P energy: -86.442
bonds (distance) P-C4' energy: -107.384
flat angles C4'-P-C4' energy: -96.124
flat angles P-C4'-P energy: -49.309
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: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2390.603837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.603837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.603837 (E_RNA)
where:
Base-Base interactions energy: -1662.238
where: short stacking energy: -667.870
Base-Backbone interact. energy: -5.796
local terms energy: -722.569286
where:
bonds (distance) C4'-P energy: -140.220
bonds (distance) P-C4' energy: -142.493
flat angles C4'-P-C4' energy: -149.855
flat angles P-C4'-P energy: -103.809
tors. eta vs tors. theta energy: -186.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2252.677915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.677915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.677915 (E_RNA)
where:
Base-Base interactions energy: -1591.658
where: short stacking energy: -624.394
Base-Backbone interact. energy: -0.651
local terms energy: -660.368958
where:
bonds (distance) C4'-P energy: -119.444
bonds (distance) P-C4' energy: -125.927
flat angles C4'-P-C4' energy: -141.799
flat angles P-C4'-P energy: -98.331
tors. eta vs tors. theta energy: -174.868
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2163.465933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.465933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.465933 (E_RNA)
where:
Base-Base interactions energy: -1506.795
where: short stacking energy: -621.458
Base-Backbone interact. energy: -0.283
local terms energy: -656.387829
where:
bonds (distance) C4'-P energy: -133.281
bonds (distance) P-C4' energy: -108.606
flat angles C4'-P-C4' energy: -140.322
flat angles P-C4'-P energy: -95.906
tors. eta vs tors. theta energy: -178.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2048.296189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.296189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.296189 (E_RNA)
where:
Base-Base interactions energy: -1406.392
where: short stacking energy: -597.866
Base-Backbone interact. energy: -3.076
local terms energy: -638.827836
where:
bonds (distance) C4'-P energy: -112.474
bonds (distance) P-C4' energy: -117.289
flat angles C4'-P-C4' energy: -141.139
flat angles P-C4'-P energy: -92.310
tors. eta vs tors. theta energy: -175.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1957.075528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.075528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.075528 (E_RNA)
where:
Base-Base interactions energy: -1331.125
where: short stacking energy: -580.208
Base-Backbone interact. energy: 0.999
local terms energy: -626.948977
where:
bonds (distance) C4'-P energy: -113.304
bonds (distance) P-C4' energy: -121.418
flat angles C4'-P-C4' energy: -127.707
flat angles P-C4'-P energy: -85.023
tors. eta vs tors. theta energy: -179.497
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: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1853.850807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.850807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.850807 (E_RNA)
where:
Base-Base interactions energy: -1283.692
where: short stacking energy: -558.250
Base-Backbone interact. energy: 2.093
local terms energy: -572.251712
where:
bonds (distance) C4'-P energy: -115.308
bonds (distance) P-C4' energy: -106.221
flat angles C4'-P-C4' energy: -122.894
flat angles P-C4'-P energy: -73.453
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: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1606.173804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.173804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.173804 (E_RNA)
where:
Base-Base interactions energy: -1079.283
where: short stacking energy: -468.493
Base-Backbone interact. energy: 0.554
local terms energy: -527.444747
where:
bonds (distance) C4'-P energy: -98.147
bonds (distance) P-C4' energy: -101.509
flat angles C4'-P-C4' energy: -129.214
flat angles P-C4'-P energy: -78.378
tors. eta vs tors. theta energy: -120.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1277.882324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.882324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.882324 (E_RNA)
where:
Base-Base interactions energy: -816.360
where: short stacking energy: -375.186
Base-Backbone interact. energy: -3.450
local terms energy: -458.072744
where:
bonds (distance) C4'-P energy: -92.185
bonds (distance) P-C4' energy: -109.340
flat angles C4'-P-C4' energy: -112.257
flat angles P-C4'-P energy: -74.785
tors. eta vs tors. theta energy: -69.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -767.288918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.288918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.288918 (E_RNA)
where:
Base-Base interactions energy: -461.189
where: short stacking energy: -233.521
Base-Backbone interact. energy: 2.248
local terms energy: -308.348128
where:
bonds (distance) C4'-P energy: -100.016
bonds (distance) P-C4' energy: -65.385
flat angles C4'-P-C4' energy: -105.266
flat angles P-C4'-P energy: -38.180
tors. eta vs tors. theta energy: 0.499
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: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -687.927200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.927200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.927200 (E_RNA)
where:
Base-Base interactions energy: -328.899
where: short stacking energy: -187.358
Base-Backbone interact. energy: 1.665
local terms energy: -360.693541
where:
bonds (distance) C4'-P energy: -114.067
bonds (distance) P-C4' energy: -124.696
flat angles C4'-P-C4' energy: -92.051
flat angles P-C4'-P energy: -43.304
tors. eta vs tors. theta energy: 13.425
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: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2364.740850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.740850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.740850 (E_RNA)
where:
Base-Base interactions energy: -1658.378
where: short stacking energy: -685.427
Base-Backbone interact. energy: -8.107
local terms energy: -698.256625
where:
bonds (distance) C4'-P energy: -134.094
bonds (distance) P-C4' energy: -131.199
flat angles C4'-P-C4' energy: -140.031
flat angles P-C4'-P energy: -110.304
tors. eta vs tors. theta energy: -182.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2272.658659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.658659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.658659 (E_RNA)
where:
Base-Base interactions energy: -1610.165
where: short stacking energy: -632.481
Base-Backbone interact. energy: -1.151
local terms energy: -661.342589
where:
bonds (distance) C4'-P energy: -122.202
bonds (distance) P-C4' energy: -129.894
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -104.425
tors. eta vs tors. theta energy: -165.922
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: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2174.682418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.682418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.682418 (E_RNA)
where:
Base-Base interactions energy: -1510.967
where: short stacking energy: -594.525
Base-Backbone interact. energy: 1.829
local terms energy: -665.544343
where:
bonds (distance) C4'-P energy: -117.819
bonds (distance) P-C4' energy: -123.641
flat angles C4'-P-C4' energy: -143.277
flat angles P-C4'-P energy: -104.273
tors. eta vs tors. theta energy: -176.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2054.695263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.695263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.695263 (E_RNA)
where:
Base-Base interactions energy: -1374.881
where: short stacking energy: -608.915
Base-Backbone interact. energy: 0.362
local terms energy: -680.176397
where:
bonds (distance) C4'-P energy: -138.109
bonds (distance) P-C4' energy: -125.128
flat angles C4'-P-C4' energy: -146.150
flat angles P-C4'-P energy: -99.353
tors. eta vs tors. theta energy: -171.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1963.077516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.077516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.077516 (E_RNA)
where:
Base-Base interactions energy: -1334.225
where: short stacking energy: -591.066
Base-Backbone interact. energy: -0.837
local terms energy: -628.015262
where:
bonds (distance) C4'-P energy: -105.786
bonds (distance) P-C4' energy: -113.208
flat angles C4'-P-C4' energy: -125.328
flat angles P-C4'-P energy: -98.858
tors. eta vs tors. theta energy: -184.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1846.314955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.314955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.314955 (E_RNA)
where:
Base-Base interactions energy: -1243.646
where: short stacking energy: -542.612
Base-Backbone interact. energy: -1.059
local terms energy: -601.609210
where:
bonds (distance) C4'-P energy: -117.247
bonds (distance) P-C4' energy: -100.753
flat angles C4'-P-C4' energy: -134.211
flat angles P-C4'-P energy: -91.835
tors. eta vs tors. theta energy: -157.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1586.574514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.574514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.574514 (E_RNA)
where:
Base-Base interactions energy: -1052.289
where: short stacking energy: -465.976
Base-Backbone interact. energy: -0.719
local terms energy: -533.566421
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -114.536
flat angles C4'-P-C4' energy: -119.428
flat angles P-C4'-P energy: -67.932
tors. eta vs tors. theta energy: -119.172
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: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1285.920223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.920223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.920223 (E_RNA)
where:
Base-Base interactions energy: -818.981
where: short stacking energy: -348.386
Base-Backbone interact. energy: 1.282
local terms energy: -468.220746
where:
bonds (distance) C4'-P energy: -99.143
bonds (distance) P-C4' energy: -99.903
flat angles C4'-P-C4' energy: -121.242
flat angles P-C4'-P energy: -75.142
tors. eta vs tors. theta energy: -72.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -820.303575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.303575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.303575 (E_RNA)
where:
Base-Base interactions energy: -449.201
where: short stacking energy: -249.941
Base-Backbone interact. energy: -0.074
local terms energy: -371.028777
where:
bonds (distance) C4'-P energy: -104.723
bonds (distance) P-C4' energy: -101.450
flat angles C4'-P-C4' energy: -92.508
flat angles P-C4'-P energy: -42.137
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -698.230558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.230558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.230558 (E_RNA)
where:
Base-Base interactions energy: -340.027
where: short stacking energy: -193.080
Base-Backbone interact. energy: 1.244
local terms energy: -359.447836
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -118.830
flat angles C4'-P-C4' energy: -82.086
flat angles P-C4'-P energy: -63.773
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2373.208988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.208988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.208988 (E_RNA)
where:
Base-Base interactions energy: -1680.201
where: short stacking energy: -678.306
Base-Backbone interact. energy: -6.242
local terms energy: -686.765722
where:
bonds (distance) C4'-P energy: -122.196
bonds (distance) P-C4' energy: -127.847
flat angles C4'-P-C4' energy: -151.003
flat angles P-C4'-P energy: -98.869
tors. eta vs tors. theta energy: -186.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2250.172225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.172225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.172225 (E_RNA)
where:
Base-Base interactions energy: -1581.665
where: short stacking energy: -626.572
Base-Backbone interact. energy: -3.542
local terms energy: -664.965789
where:
bonds (distance) C4'-P energy: -127.651
bonds (distance) P-C4' energy: -131.147
flat angles C4'-P-C4' energy: -139.422
flat angles P-C4'-P energy: -97.903
tors. eta vs tors. theta energy: -168.843
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: 363
Temperature: 1.000000
Total energy: -2177.176388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.176388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.176388 (E_RNA)
where:
Base-Base interactions energy: -1483.923
where: short stacking energy: -609.338
Base-Backbone interact. energy: -0.635
local terms energy: -692.618336
where:
bonds (distance) C4'-P energy: -119.415
bonds (distance) P-C4' energy: -146.787
flat angles C4'-P-C4' energy: -145.191
flat angles P-C4'-P energy: -101.546
tors. eta vs tors. theta energy: -179.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2092.357296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.357296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.357296 (E_RNA)
where:
Base-Base interactions energy: -1436.618
where: short stacking energy: -628.721
Base-Backbone interact. energy: -2.532
local terms energy: -653.207208
where:
bonds (distance) C4'-P energy: -102.859
bonds (distance) P-C4' energy: -129.536
flat angles C4'-P-C4' energy: -138.815
flat angles P-C4'-P energy: -102.589
tors. eta vs tors. theta energy: -179.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1986.678988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.678988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.678988 (E_RNA)
where:
Base-Base interactions energy: -1368.831
where: short stacking energy: -601.055
Base-Backbone interact. energy: -2.405
local terms energy: -615.443392
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -104.087
flat angles C4'-P-C4' energy: -134.477
flat angles P-C4'-P energy: -93.053
tors. eta vs tors. theta energy: -175.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1852.307152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.307152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.307152 (E_RNA)
where:
Base-Base interactions energy: -1269.512
where: short stacking energy: -551.016
Base-Backbone interact. energy: -2.025
local terms energy: -580.769610
where:
bonds (distance) C4'-P energy: -96.115
bonds (distance) P-C4' energy: -120.048
flat angles C4'-P-C4' energy: -138.233
flat angles P-C4'-P energy: -76.353
tors. eta vs tors. theta energy: -150.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1506.201775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.201775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.201775 (E_RNA)
where:
Base-Base interactions energy: -1009.718
where: short stacking energy: -464.714
Base-Backbone interact. energy: -1.073
local terms energy: -495.410517
where:
bonds (distance) C4'-P energy: -105.478
bonds (distance) P-C4' energy: -101.331
flat angles C4'-P-C4' energy: -118.586
flat angles P-C4'-P energy: -77.635
tors. eta vs tors. theta energy: -92.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1350.080072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.080072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.080072 (E_RNA)
where:
Base-Base interactions energy: -874.257
where: short stacking energy: -376.513
Base-Backbone interact. energy: -1.064
local terms energy: -474.759061
where:
bonds (distance) C4'-P energy: -106.339
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -125.458
flat angles P-C4'-P energy: -74.586
tors. eta vs tors. theta energy: -78.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -820.105448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.105448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.105448 (E_RNA)
where:
Base-Base interactions energy: -390.519
where: short stacking energy: -222.270
Base-Backbone interact. energy: 2.032
local terms energy: -431.618903
where:
bonds (distance) C4'-P energy: -113.029
bonds (distance) P-C4' energy: -127.505
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -67.867
tors. eta vs tors. theta energy: -28.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -738.363838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.363838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.363838 (E_RNA)
where:
Base-Base interactions energy: -373.370
where: short stacking energy: -197.619
Base-Backbone interact. energy: -3.675
local terms energy: -361.319062
where:
bonds (distance) C4'-P energy: -112.094
bonds (distance) P-C4' energy: -104.356
flat angles C4'-P-C4' energy: -98.808
flat angles P-C4'-P energy: -45.857
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2384.150702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.150702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.150702 (E_RNA)
where:
Base-Base interactions energy: -1673.285
where: short stacking energy: -677.443
Base-Backbone interact. energy: -5.409
local terms energy: -705.456859
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -134.721
flat angles C4'-P-C4' energy: -153.140
flat angles P-C4'-P energy: -105.718
tors. eta vs tors. theta energy: -183.212
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: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2265.217505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.217505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.217505 (E_RNA)
where:
Base-Base interactions energy: -1582.205
where: short stacking energy: -611.984
Base-Backbone interact. energy: -2.949
local terms energy: -680.063737
where:
bonds (distance) C4'-P energy: -138.190
bonds (distance) P-C4' energy: -123.602
flat angles C4'-P-C4' energy: -146.961
flat angles P-C4'-P energy: -106.839
tors. eta vs tors. theta energy: -164.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2149.624403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.624403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.624403 (E_RNA)
where:
Base-Base interactions energy: -1509.629
where: short stacking energy: -627.838
Base-Backbone interact. energy: -2.863
local terms energy: -637.131704
where:
bonds (distance) C4'-P energy: -111.167
bonds (distance) P-C4' energy: -106.316
flat angles C4'-P-C4' energy: -142.723
flat angles P-C4'-P energy: -95.111
tors. eta vs tors. theta energy: -181.814
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: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2051.207278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.207278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.207278 (E_RNA)
where:
Base-Base interactions energy: -1405.102
where: short stacking energy: -601.105
Base-Backbone interact. energy: -3.529
local terms energy: -642.576049
where:
bonds (distance) C4'-P energy: -108.408
bonds (distance) P-C4' energy: -118.861
flat angles C4'-P-C4' energy: -136.155
flat angles P-C4'-P energy: -94.853
tors. eta vs tors. theta energy: -184.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1927.343575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.343575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.343575 (E_RNA)
where:
Base-Base interactions energy: -1349.371
where: short stacking energy: -570.373
Base-Backbone interact. energy: -2.259
local terms energy: -575.713815
where:
bonds (distance) C4'-P energy: -106.850
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -123.667
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -157.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1833.454632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.454632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.454632 (E_RNA)
where:
Base-Base interactions energy: -1238.902
where: short stacking energy: -549.261
Base-Backbone interact. energy: -2.428
local terms energy: -592.124382
where:
bonds (distance) C4'-P energy: -129.362
bonds (distance) P-C4' energy: -121.457
flat angles C4'-P-C4' energy: -104.153
flat angles P-C4'-P energy: -74.941
tors. eta vs tors. theta energy: -162.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1548.023317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.023317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.023317 (E_RNA)
where:
Base-Base interactions energy: -1026.263
where: short stacking energy: -452.178
Base-Backbone interact. energy: -2.757
local terms energy: -519.003741
where:
bonds (distance) C4'-P energy: -114.304
bonds (distance) P-C4' energy: -125.535
flat angles C4'-P-C4' energy: -114.311
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -101.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1281.091446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.091446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.091446 (E_RNA)
where:
Base-Base interactions energy: -845.110
where: short stacking energy: -375.705
Base-Backbone interact. energy: -1.473
local terms energy: -434.507872
where:
bonds (distance) C4'-P energy: -80.294
bonds (distance) P-C4' energy: -124.104
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -61.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -758.446540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.446540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.446540 (E_RNA)
where:
Base-Base interactions energy: -373.690
where: short stacking energy: -238.330
Base-Backbone interact. energy: -1.405
local terms energy: -383.351047
where:
bonds (distance) C4'-P energy: -101.336
bonds (distance) P-C4' energy: -107.112
flat angles C4'-P-C4' energy: -102.084
flat angles P-C4'-P energy: -55.885
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -725.118163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.118163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.118163 (E_RNA)
where:
Base-Base interactions energy: -338.552
where: short stacking energy: -182.371
Base-Backbone interact. energy: 1.144
local terms energy: -387.710251
where:
bonds (distance) C4'-P energy: -110.391
bonds (distance) P-C4' energy: -103.778
flat angles C4'-P-C4' energy: -105.638
flat angles P-C4'-P energy: -63.833
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2385.464254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.464254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.464254 (E_RNA)
where:
Base-Base interactions energy: -1674.097
where: short stacking energy: -669.481
Base-Backbone interact. energy: -5.786
local terms energy: -705.582036
where:
bonds (distance) C4'-P energy: -124.079
bonds (distance) P-C4' energy: -126.357
flat angles C4'-P-C4' energy: -155.344
flat angles P-C4'-P energy: -113.451
tors. eta vs tors. theta energy: -186.351
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: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2250.713400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.713400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.713400 (E_RNA)
where:
Base-Base interactions energy: -1575.419
where: short stacking energy: -623.339
Base-Backbone interact. energy: -3.489
local terms energy: -671.805215
where:
bonds (distance) C4'-P energy: -124.849
bonds (distance) P-C4' energy: -133.160
flat angles C4'-P-C4' energy: -137.554
flat angles P-C4'-P energy: -103.447
tors. eta vs tors. theta energy: -172.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2189.810924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.810924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.810924 (E_RNA)
where:
Base-Base interactions energy: -1531.453
where: short stacking energy: -615.418
Base-Backbone interact. energy: -4.712
local terms energy: -653.645338
where:
bonds (distance) C4'-P energy: -117.100
bonds (distance) P-C4' energy: -113.027
flat angles C4'-P-C4' energy: -151.663
flat angles P-C4'-P energy: -94.222
tors. eta vs tors. theta energy: -177.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2066.686914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.686914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.686914 (E_RNA)
where:
Base-Base interactions energy: -1404.376
where: short stacking energy: -596.679
Base-Backbone interact. energy: -1.683
local terms energy: -660.628149
where:
bonds (distance) C4'-P energy: -128.426
bonds (distance) P-C4' energy: -116.450
flat angles C4'-P-C4' energy: -141.180
flat angles P-C4'-P energy: -100.852
tors. eta vs tors. theta energy: -173.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1974.656332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.656332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.656332 (E_RNA)
where:
Base-Base interactions energy: -1342.995
where: short stacking energy: -599.265
Base-Backbone interact. energy: -3.022
local terms energy: -628.638666
where:
bonds (distance) C4'-P energy: -109.756
bonds (distance) P-C4' energy: -119.383
flat angles C4'-P-C4' energy: -147.233
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -179.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1837.852432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.852432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.852432 (E_RNA)
where:
Base-Base interactions energy: -1255.540
where: short stacking energy: -563.274
Base-Backbone interact. energy: 5.563
local terms energy: -587.875897
where:
bonds (distance) C4'-P energy: -125.072
bonds (distance) P-C4' energy: -111.667
flat angles C4'-P-C4' energy: -128.342
flat angles P-C4'-P energy: -76.540
tors. eta vs tors. theta energy: -146.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1575.893729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.893729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.893729 (E_RNA)
where:
Base-Base interactions energy: -1059.021
where: short stacking energy: -437.841
Base-Backbone interact. energy: 6.007
local terms energy: -522.879274
where:
bonds (distance) C4'-P energy: -105.196
bonds (distance) P-C4' energy: -116.714
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -85.063
tors. eta vs tors. theta energy: -106.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1223.660480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.660480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.660480 (E_RNA)
where:
Base-Base interactions energy: -792.602
where: short stacking energy: -372.382
Base-Backbone interact. energy: 2.493
local terms energy: -433.550912
where:
bonds (distance) C4'-P energy: -94.929
bonds (distance) P-C4' energy: -106.976
flat angles C4'-P-C4' energy: -116.568
flat angles P-C4'-P energy: -61.784
tors. eta vs tors. theta energy: -53.295
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: 365
Temperature: 1.300000
Total energy: -803.256497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.256497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.256497 (E_RNA)
where:
Base-Base interactions energy: -431.728
where: short stacking energy: -240.178
Base-Backbone interact. energy: -1.189
local terms energy: -370.339586
where:
bonds (distance) C4'-P energy: -101.563
bonds (distance) P-C4' energy: -95.363
flat angles C4'-P-C4' energy: -105.089
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -7.908
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: 365
Temperature: 1.350000
Total energy: -731.224901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.224901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.224901 (E_RNA)
where:
Base-Base interactions energy: -372.678
where: short stacking energy: -205.880
Base-Backbone interact. energy: -0.376
local terms energy: -358.170561
where:
bonds (distance) C4'-P energy: -114.363
bonds (distance) P-C4' energy: -98.405
flat angles C4'-P-C4' energy: -100.031
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -3.663
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: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2339.500291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.500291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.500291 (E_RNA)
where:
Base-Base interactions energy: -1635.338
where: short stacking energy: -631.082
Base-Backbone interact. energy: -2.109
local terms energy: -702.053873
where:
bonds (distance) C4'-P energy: -129.735
bonds (distance) P-C4' energy: -130.455
flat angles C4'-P-C4' energy: -153.927
flat angles P-C4'-P energy: -103.757
tors. eta vs tors. theta energy: -184.179
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: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2363.812882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.812882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.812882 (E_RNA)
where:
Base-Base interactions energy: -1649.699
where: short stacking energy: -667.513
Base-Backbone interact. energy: 0.446
local terms energy: -714.559555
where:
bonds (distance) C4'-P energy: -130.772
bonds (distance) P-C4' energy: -132.276
flat angles C4'-P-C4' energy: -148.018
flat angles P-C4'-P energy: -114.965
tors. eta vs tors. theta energy: -188.529
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: 366
Temperature: 1.000000
Total energy: -2178.727696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.727696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.727696 (E_RNA)
where:
Base-Base interactions energy: -1505.250
where: short stacking energy: -608.089
Base-Backbone interact. energy: -0.528
local terms energy: -672.950122
where:
bonds (distance) C4'-P energy: -123.691
bonds (distance) P-C4' energy: -129.579
flat angles C4'-P-C4' energy: -141.729
flat angles P-C4'-P energy: -107.066
tors. eta vs tors. theta energy: -170.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2070.213678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.213678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.213678 (E_RNA)
where:
Base-Base interactions energy: -1414.761
where: short stacking energy: -620.967
Base-Backbone interact. energy: -1.617
local terms energy: -653.836335
where:
bonds (distance) C4'-P energy: -107.460
bonds (distance) P-C4' energy: -127.071
flat angles C4'-P-C4' energy: -145.118
flat angles P-C4'-P energy: -105.460
tors. eta vs tors. theta energy: -168.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1998.680059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.680059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.680059 (E_RNA)
where:
Base-Base interactions energy: -1340.083
where: short stacking energy: -597.456
Base-Backbone interact. energy: -2.484
local terms energy: -656.113344
where:
bonds (distance) C4'-P energy: -125.057
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -134.425
flat angles P-C4'-P energy: -103.364
tors. eta vs tors. theta energy: -178.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1831.479540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.479540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.479540 (E_RNA)
where:
Base-Base interactions energy: -1274.625
where: short stacking energy: -538.739
Base-Backbone interact. energy: 1.757
local terms energy: -558.611963
where:
bonds (distance) C4'-P energy: -106.435
bonds (distance) P-C4' energy: -120.117
flat angles C4'-P-C4' energy: -126.635
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: -145.000
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1532.159016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.159016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.159016 (E_RNA)
where:
Base-Base interactions energy: -1032.591
where: short stacking energy: -433.306
Base-Backbone interact. energy: 6.961
local terms energy: -506.529046
where:
bonds (distance) C4'-P energy: -110.266
bonds (distance) P-C4' energy: -103.686
flat angles C4'-P-C4' energy: -111.541
flat angles P-C4'-P energy: -79.849
tors. eta vs tors. theta energy: -101.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1234.421708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.421708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.421708 (E_RNA)
where:
Base-Base interactions energy: -769.572
where: short stacking energy: -335.339
Base-Backbone interact. energy: -0.082
local terms energy: -464.767282
where:
bonds (distance) C4'-P energy: -107.151
bonds (distance) P-C4' energy: -118.191
flat angles C4'-P-C4' energy: -117.319
flat angles P-C4'-P energy: -70.677
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -794.715341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.715341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.715341 (E_RNA)
where:
Base-Base interactions energy: -400.383
where: short stacking energy: -240.472
Base-Backbone interact. energy: 5.146
local terms energy: -399.477617
where:
bonds (distance) C4'-P energy: -116.287
bonds (distance) P-C4' energy: -107.670
flat angles C4'-P-C4' energy: -99.361
flat angles P-C4'-P energy: -61.911
tors. eta vs tors. theta energy: -14.248
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: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -693.071790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.071790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.071790 (E_RNA)
where:
Base-Base interactions energy: -343.363
where: short stacking energy: -195.785
Base-Backbone interact. energy: 0.903
local terms energy: -350.611631
where:
bonds (distance) C4'-P energy: -107.293
bonds (distance) P-C4' energy: -113.189
flat angles C4'-P-C4' energy: -81.358
flat angles P-C4'-P energy: -71.676
tors. eta vs tors. theta energy: 22.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2339.518363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.518363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.518363 (E_RNA)
where:
Base-Base interactions energy: -1615.907
where: short stacking energy: -632.340
Base-Backbone interact. energy: -0.381
local terms energy: -723.229553
where:
bonds (distance) C4'-P energy: -132.781
bonds (distance) P-C4' energy: -150.608
flat angles C4'-P-C4' energy: -144.549
flat angles P-C4'-P energy: -107.725
tors. eta vs tors. theta energy: -187.566
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: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2353.080681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.080681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.080681 (E_RNA)
where:
Base-Base interactions energy: -1683.761
where: short stacking energy: -667.469
Base-Backbone interact. energy: -3.641
local terms energy: -665.678070
where:
bonds (distance) C4'-P energy: -123.862
bonds (distance) P-C4' energy: -119.797
flat angles C4'-P-C4' energy: -153.910
flat angles P-C4'-P energy: -93.029
tors. eta vs tors. theta energy: -175.081
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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2162.173963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.173963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.173963 (E_RNA)
where:
Base-Base interactions energy: -1484.882
where: short stacking energy: -616.479
Base-Backbone interact. energy: -2.569
local terms energy: -674.723136
where:
bonds (distance) C4'-P energy: -123.795
bonds (distance) P-C4' energy: -130.068
flat angles C4'-P-C4' energy: -143.081
flat angles P-C4'-P energy: -93.854
tors. eta vs tors. theta energy: -183.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2032.845291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.845291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.845291 (E_RNA)
where:
Base-Base interactions energy: -1389.974
where: short stacking energy: -604.040
Base-Backbone interact. energy: -2.920
local terms energy: -639.952118
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -127.690
flat angles C4'-P-C4' energy: -134.134
flat angles P-C4'-P energy: -87.544
tors. eta vs tors. theta energy: -172.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1976.357154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.357154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.357154 (E_RNA)
where:
Base-Base interactions energy: -1355.556
where: short stacking energy: -594.590
Base-Backbone interact. energy: -2.417
local terms energy: -618.383858
where:
bonds (distance) C4'-P energy: -126.170
bonds (distance) P-C4' energy: -114.839
flat angles C4'-P-C4' energy: -132.700
flat angles P-C4'-P energy: -81.505
tors. eta vs tors. theta energy: -163.169
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: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1856.119549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.119549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.119549 (E_RNA)
where:
Base-Base interactions energy: -1291.217
where: short stacking energy: -553.320
Base-Backbone interact. energy: -1.876
local terms energy: -563.026340
where:
bonds (distance) C4'-P energy: -93.778
bonds (distance) P-C4' energy: -108.733
flat angles C4'-P-C4' energy: -141.274
flat angles P-C4'-P energy: -69.287
tors. eta vs tors. theta energy: -149.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1580.412242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.412242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.412242 (E_RNA)
where:
Base-Base interactions energy: -1045.911
where: short stacking energy: -427.136
Base-Backbone interact. energy: -1.681
local terms energy: -532.820325
where:
bonds (distance) C4'-P energy: -116.553
bonds (distance) P-C4' energy: -115.649
flat angles C4'-P-C4' energy: -119.600
flat angles P-C4'-P energy: -88.102
tors. eta vs tors. theta energy: -92.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1244.028335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.028335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.028335 (E_RNA)
where:
Base-Base interactions energy: -806.974
where: short stacking energy: -350.209
Base-Backbone interact. energy: -2.485
local terms energy: -434.569308
where:
bonds (distance) C4'-P energy: -104.035
bonds (distance) P-C4' energy: -107.718
flat angles C4'-P-C4' energy: -102.024
flat angles P-C4'-P energy: -69.956
tors. eta vs tors. theta energy: -50.836
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: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -716.076754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.076754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.076754 (E_RNA)
where:
Base-Base interactions energy: -354.946
where: short stacking energy: -229.915
Base-Backbone interact. energy: -3.757
local terms energy: -357.373503
where:
bonds (distance) C4'-P energy: -101.932
bonds (distance) P-C4' energy: -104.010
flat angles C4'-P-C4' energy: -98.886
flat angles P-C4'-P energy: -55.909
tors. eta vs tors. theta energy: 3.363
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: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -624.432246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.432246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.432246 (E_RNA)
where:
Base-Base interactions energy: -289.985
where: short stacking energy: -175.799
Base-Backbone interact. energy: 1.690
local terms energy: -336.137270
where:
bonds (distance) C4'-P energy: -106.398
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -93.728
flat angles P-C4'-P energy: -52.659
tors. eta vs tors. theta energy: 22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2378.731000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.731000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.731000 (E_RNA)
where:
Base-Base interactions energy: -1666.423
where: short stacking energy: -656.734
Base-Backbone interact. energy: -0.564
local terms energy: -711.744181
where:
bonds (distance) C4'-P energy: -131.073
bonds (distance) P-C4' energy: -135.664
flat angles C4'-P-C4' energy: -156.155
flat angles P-C4'-P energy: -101.666
tors. eta vs tors. theta energy: -187.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2334.922077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.922077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.922077 (E_RNA)
where:
Base-Base interactions energy: -1641.022
where: short stacking energy: -672.350
Base-Backbone interact. energy: -0.913
local terms energy: -692.987052
where:
bonds (distance) C4'-P energy: -130.854
bonds (distance) P-C4' energy: -118.208
flat angles C4'-P-C4' energy: -157.373
flat angles P-C4'-P energy: -101.108
tors. eta vs tors. theta energy: -185.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2204.370264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.370264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.370264 (E_RNA)
where:
Base-Base interactions energy: -1530.441
where: short stacking energy: -634.423
Base-Backbone interact. energy: -3.044
local terms energy: -670.885614
where:
bonds (distance) C4'-P energy: -125.223
bonds (distance) P-C4' energy: -138.988
flat angles C4'-P-C4' energy: -140.030
flat angles P-C4'-P energy: -96.616
tors. eta vs tors. theta energy: -170.029
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: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2063.841295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.841295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.841295 (E_RNA)
where:
Base-Base interactions energy: -1429.589
where: short stacking energy: -635.215
Base-Backbone interact. energy: -1.657
local terms energy: -632.594786
where:
bonds (distance) C4'-P energy: -119.881
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -135.221
flat angles P-C4'-P energy: -80.646
tors. eta vs tors. theta energy: -176.939
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1973.461112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.461112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.461112 (E_RNA)
where:
Base-Base interactions energy: -1347.678
where: short stacking energy: -582.096
Base-Backbone interact. energy: -1.786
local terms energy: -623.996713
where:
bonds (distance) C4'-P energy: -104.352
bonds (distance) P-C4' energy: -114.191
flat angles C4'-P-C4' energy: -135.251
flat angles P-C4'-P energy: -87.774
tors. eta vs tors. theta energy: -182.429
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: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1892.786754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.786754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.786754 (E_RNA)
where:
Base-Base interactions energy: -1286.673
where: short stacking energy: -562.280
Base-Backbone interact. energy: -2.131
local terms energy: -603.983157
where:
bonds (distance) C4'-P energy: -116.853
bonds (distance) P-C4' energy: -118.297
flat angles C4'-P-C4' energy: -122.170
flat angles P-C4'-P energy: -87.614
tors. eta vs tors. theta energy: -159.049
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: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1601.091491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.091491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.091491 (E_RNA)
where:
Base-Base interactions energy: -1080.308
where: short stacking energy: -478.259
Base-Backbone interact. energy: -0.383
local terms energy: -520.400553
where:
bonds (distance) C4'-P energy: -111.746
bonds (distance) P-C4' energy: -106.084
flat angles C4'-P-C4' energy: -112.886
flat angles P-C4'-P energy: -67.229
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: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1352.885740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.885740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.885740 (E_RNA)
where:
Base-Base interactions energy: -896.128
where: short stacking energy: -396.614
Base-Backbone interact. energy: 0.556
local terms energy: -457.313634
where:
bonds (distance) C4'-P energy: -86.259
bonds (distance) P-C4' energy: -112.927
flat angles C4'-P-C4' energy: -102.388
flat angles P-C4'-P energy: -65.668
tors. eta vs tors. theta energy: -90.071
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: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -762.958167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.958167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.958167 (E_RNA)
where:
Base-Base interactions energy: -401.993
where: short stacking energy: -272.214
Base-Backbone interact. energy: 5.456
local terms energy: -366.421776
where:
bonds (distance) C4'-P energy: -85.833
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -80.117
flat angles P-C4'-P energy: -63.455
tors. eta vs tors. theta energy: -39.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -630.522343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.522343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.522343 (E_RNA)
where:
Base-Base interactions energy: -274.987
where: short stacking energy: -169.966
Base-Backbone interact. energy: 7.436
local terms energy: -362.971426
where:
bonds (distance) C4'-P energy: -121.895
bonds (distance) P-C4' energy: -124.018
flat angles C4'-P-C4' energy: -101.370
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: 12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2379.145092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.145092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.145092 (E_RNA)
where:
Base-Base interactions energy: -1671.484
where: short stacking energy: -704.047
Base-Backbone interact. energy: -4.051
local terms energy: -703.610402
where:
bonds (distance) C4'-P energy: -134.842
bonds (distance) P-C4' energy: -122.910
flat angles C4'-P-C4' energy: -155.073
flat angles P-C4'-P energy: -109.901
tors. eta vs tors. theta energy: -180.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2284.595096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.595096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.595096 (E_RNA)
where:
Base-Base interactions energy: -1622.535
where: short stacking energy: -654.332
Base-Backbone interact. energy: -1.500
local terms energy: -660.560048
where:
bonds (distance) C4'-P energy: -129.964
bonds (distance) P-C4' energy: -125.332
flat angles C4'-P-C4' energy: -151.269
flat angles P-C4'-P energy: -76.906
tors. eta vs tors. theta energy: -177.090
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: 369
Temperature: 1.000000
Total energy: -2177.492086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.492086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.492086 (E_RNA)
where:
Base-Base interactions energy: -1502.506
where: short stacking energy: -639.344
Base-Backbone interact. energy: -0.893
local terms energy: -674.093463
where:
bonds (distance) C4'-P energy: -124.973
bonds (distance) P-C4' energy: -125.161
flat angles C4'-P-C4' energy: -148.269
flat angles P-C4'-P energy: -102.590
tors. eta vs tors. theta energy: -173.100
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: 369
Temperature: 1.050000
Total energy: -2034.911690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.911690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.911690 (E_RNA)
where:
Base-Base interactions energy: -1378.843
where: short stacking energy: -604.100
Base-Backbone interact. energy: -0.831
local terms energy: -655.237354
where:
bonds (distance) C4'-P energy: -116.915
bonds (distance) P-C4' energy: -118.523
flat angles C4'-P-C4' energy: -145.335
flat angles P-C4'-P energy: -102.460
tors. eta vs tors. theta energy: -172.005
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: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1960.125954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.125954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.125954 (E_RNA)
where:
Base-Base interactions energy: -1340.478
where: short stacking energy: -587.953
Base-Backbone interact. energy: 0.324
local terms energy: -619.972747
where:
bonds (distance) C4'-P energy: -113.335
bonds (distance) P-C4' energy: -123.130
flat angles C4'-P-C4' energy: -129.548
flat angles P-C4'-P energy: -79.631
tors. eta vs tors. theta energy: -174.329
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1854.485306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.485306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.485306 (E_RNA)
where:
Base-Base interactions energy: -1259.304
where: short stacking energy: -533.997
Base-Backbone interact. energy: 2.527
local terms energy: -597.708703
where:
bonds (distance) C4'-P energy: -115.236
bonds (distance) P-C4' energy: -110.110
flat angles C4'-P-C4' energy: -129.431
flat angles P-C4'-P energy: -82.620
tors. eta vs tors. theta energy: -160.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1618.253541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.253541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.253541 (E_RNA)
where:
Base-Base interactions energy: -1076.656
where: short stacking energy: -453.487
Base-Backbone interact. energy: 0.495
local terms energy: -542.092377
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -113.719
flat angles P-C4'-P energy: -84.142
tors. eta vs tors. theta energy: -112.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1395.888569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.888569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.888569 (E_RNA)
where:
Base-Base interactions energy: -904.871
where: short stacking energy: -390.359
Base-Backbone interact. energy: 2.473
local terms energy: -493.490695
where:
bonds (distance) C4'-P energy: -90.224
bonds (distance) P-C4' energy: -111.314
flat angles C4'-P-C4' energy: -115.516
flat angles P-C4'-P energy: -83.115
tors. eta vs tors. theta energy: -93.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -758.286274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.286274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.286274 (E_RNA)
where:
Base-Base interactions energy: -352.883
where: short stacking energy: -223.231
Base-Backbone interact. energy: -2.557
local terms energy: -402.845868
where:
bonds (distance) C4'-P energy: -107.462
bonds (distance) P-C4' energy: -122.381
flat angles C4'-P-C4' energy: -107.203
flat angles P-C4'-P energy: -57.554
tors. eta vs tors. theta energy: -8.246
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: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -689.810612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.810612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.810612 (E_RNA)
where:
Base-Base interactions energy: -336.176
where: short stacking energy: -189.352
Base-Backbone interact. energy: 6.299
local terms energy: -359.933315
where:
bonds (distance) C4'-P energy: -99.324
bonds (distance) P-C4' energy: -108.599
flat angles C4'-P-C4' energy: -113.899
flat angles P-C4'-P energy: -49.601
tors. eta vs tors. theta energy: 11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2336.914254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.914254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.914254 (E_RNA)
where:
Base-Base interactions energy: -1643.004
where: short stacking energy: -673.424
Base-Backbone interact. energy: 1.741
local terms energy: -695.651019
where:
bonds (distance) C4'-P energy: -127.832
bonds (distance) P-C4' energy: -136.122
flat angles C4'-P-C4' energy: -151.473
flat angles P-C4'-P energy: -98.894
tors. eta vs tors. theta energy: -181.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2329.698664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.698664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.698664 (E_RNA)
where:
Base-Base interactions energy: -1608.215
where: short stacking energy: -658.810
Base-Backbone interact. energy: 1.313
local terms energy: -722.796749
where:
bonds (distance) C4'-P energy: -126.917
bonds (distance) P-C4' energy: -143.253
flat angles C4'-P-C4' energy: -160.393
flat angles P-C4'-P energy: -108.321
tors. eta vs tors. theta energy: -183.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2175.691528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.691528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.691528 (E_RNA)
where:
Base-Base interactions energy: -1496.230
where: short stacking energy: -621.243
Base-Backbone interact. energy: 2.572
local terms energy: -682.033308
where:
bonds (distance) C4'-P energy: -126.995
bonds (distance) P-C4' energy: -126.012
flat angles C4'-P-C4' energy: -152.046
flat angles P-C4'-P energy: -97.928
tors. eta vs tors. theta energy: -179.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2012.852027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.852027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.852027 (E_RNA)
where:
Base-Base interactions energy: -1370.020
where: short stacking energy: -577.718
Base-Backbone interact. energy: -4.159
local terms energy: -638.673432
where:
bonds (distance) C4'-P energy: -128.980
bonds (distance) P-C4' energy: -137.233
flat angles C4'-P-C4' energy: -137.343
flat angles P-C4'-P energy: -75.238
tors. eta vs tors. theta energy: -159.878
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: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1949.631046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.631046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.631046 (E_RNA)
where:
Base-Base interactions energy: -1339.702
where: short stacking energy: -565.421
Base-Backbone interact. energy: -3.138
local terms energy: -606.790402
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -114.680
flat angles C4'-P-C4' energy: -133.554
flat angles P-C4'-P energy: -84.689
tors. eta vs tors. theta energy: -176.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1817.927111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.927111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.927111 (E_RNA)
where:
Base-Base interactions energy: -1241.000
where: short stacking energy: -531.022
Base-Backbone interact. energy: -2.186
local terms energy: -574.740873
where:
bonds (distance) C4'-P energy: -108.688
bonds (distance) P-C4' energy: -121.463
flat angles C4'-P-C4' energy: -120.248
flat angles P-C4'-P energy: -79.387
tors. eta vs tors. theta energy: -144.955
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: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1603.365602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.365602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.365602 (E_RNA)
where:
Base-Base interactions energy: -1055.050
where: short stacking energy: -448.152
Base-Backbone interact. energy: -2.430
local terms energy: -545.886131
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -129.576
flat angles C4'-P-C4' energy: -113.963
flat angles P-C4'-P energy: -80.019
tors. eta vs tors. theta energy: -106.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1393.781172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.781172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.781172 (E_RNA)
where:
Base-Base interactions energy: -906.651
where: short stacking energy: -406.427
Base-Backbone interact. energy: -2.216
local terms energy: -484.913712
where:
bonds (distance) C4'-P energy: -105.025
bonds (distance) P-C4' energy: -110.173
flat angles C4'-P-C4' energy: -132.582
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -82.501
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: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -811.900384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.900384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.900384 (E_RNA)
where:
Base-Base interactions energy: -423.600
where: short stacking energy: -239.927
Base-Backbone interact. energy: 1.262
local terms energy: -389.561570
where:
bonds (distance) C4'-P energy: -88.721
bonds (distance) P-C4' energy: -104.647
flat angles C4'-P-C4' energy: -114.034
flat angles P-C4'-P energy: -51.956
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -738.634096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.634096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.634096 (E_RNA)
where:
Base-Base interactions energy: -378.017
where: short stacking energy: -242.656
Base-Backbone interact. energy: 1.784
local terms energy: -362.401262
where:
bonds (distance) C4'-P energy: -105.776
bonds (distance) P-C4' energy: -99.779
flat angles C4'-P-C4' energy: -95.274
flat angles P-C4'-P energy: -51.547
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2348.252765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.252765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.252765 (E_RNA)
where:
Base-Base interactions energy: -1648.273
where: short stacking energy: -650.284
Base-Backbone interact. energy: -2.878
local terms energy: -697.102123
where:
bonds (distance) C4'-P energy: -131.842
bonds (distance) P-C4' energy: -128.386
flat angles C4'-P-C4' energy: -148.078
flat angles P-C4'-P energy: -109.435
tors. eta vs tors. theta energy: -179.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2339.197276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.197276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.197276 (E_RNA)
where:
Base-Base interactions energy: -1649.787
where: short stacking energy: -680.473
Base-Backbone interact. energy: -2.200
local terms energy: -687.209999
where:
bonds (distance) C4'-P energy: -123.401
bonds (distance) P-C4' energy: -121.713
flat angles C4'-P-C4' energy: -151.687
flat angles P-C4'-P energy: -105.150
tors. eta vs tors. theta energy: -185.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2178.568425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.568425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.568425 (E_RNA)
where:
Base-Base interactions energy: -1531.690
where: short stacking energy: -632.480
Base-Backbone interact. energy: -5.539
local terms energy: -641.339117
where:
bonds (distance) C4'-P energy: -105.981
bonds (distance) P-C4' energy: -117.512
flat angles C4'-P-C4' energy: -140.690
flat angles P-C4'-P energy: -96.940
tors. eta vs tors. theta energy: -180.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2049.951161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.951161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.951161 (E_RNA)
where:
Base-Base interactions energy: -1407.958
where: short stacking energy: -608.130
Base-Backbone interact. energy: -2.097
local terms energy: -639.896106
where:
bonds (distance) C4'-P energy: -114.018
bonds (distance) P-C4' energy: -118.446
flat angles C4'-P-C4' energy: -139.309
flat angles P-C4'-P energy: -88.977
tors. eta vs tors. theta energy: -179.145
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: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1978.508762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.508762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.508762 (E_RNA)
where:
Base-Base interactions energy: -1355.869
where: short stacking energy: -589.214
Base-Backbone interact. energy: 0.345
local terms energy: -622.985163
where:
bonds (distance) C4'-P energy: -110.379
bonds (distance) P-C4' energy: -108.181
flat angles C4'-P-C4' energy: -138.586
flat angles P-C4'-P energy: -89.465
tors. eta vs tors. theta energy: -176.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1787.870039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.870039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.870039 (E_RNA)
where:
Base-Base interactions energy: -1213.685
where: short stacking energy: -533.431
Base-Backbone interact. energy: -2.088
local terms energy: -572.097799
where:
bonds (distance) C4'-P energy: -113.061
bonds (distance) P-C4' energy: -107.852
flat angles C4'-P-C4' energy: -126.013
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -153.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1626.138724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.138724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.138724 (E_RNA)
where:
Base-Base interactions energy: -1076.142
where: short stacking energy: -477.274
Base-Backbone interact. energy: 4.755
local terms energy: -554.752021
where:
bonds (distance) C4'-P energy: -101.965
bonds (distance) P-C4' energy: -126.745
flat angles C4'-P-C4' energy: -130.697
flat angles P-C4'-P energy: -79.616
tors. eta vs tors. theta energy: -115.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1373.460553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.460553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.460553 (E_RNA)
where:
Base-Base interactions energy: -904.906
where: short stacking energy: -382.291
Base-Backbone interact. energy: -2.717
local terms energy: -465.837054
where:
bonds (distance) C4'-P energy: -100.475
bonds (distance) P-C4' energy: -92.340
flat angles C4'-P-C4' energy: -117.089
flat angles P-C4'-P energy: -73.326
tors. eta vs tors. theta energy: -82.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -788.445118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.445118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.445118 (E_RNA)
where:
Base-Base interactions energy: -419.115
where: short stacking energy: -242.569
Base-Backbone interact. energy: -0.238
local terms energy: -369.092541
where:
bonds (distance) C4'-P energy: -84.372
bonds (distance) P-C4' energy: -122.314
flat angles C4'-P-C4' energy: -89.283
flat angles P-C4'-P energy: -45.633
tors. eta vs tors. theta energy: -27.491
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: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -696.817263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.817263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.817263 (E_RNA)
where:
Base-Base interactions energy: -327.695
where: short stacking energy: -178.890
Base-Backbone interact. energy: 4.380
local terms energy: -373.502602
where:
bonds (distance) C4'-P energy: -111.095
bonds (distance) P-C4' energy: -115.088
flat angles C4'-P-C4' energy: -95.614
flat angles P-C4'-P energy: -54.060
tors. eta vs tors. theta energy: 2.354
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: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2372.787913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.787913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.787913 (E_RNA)
where:
Base-Base interactions energy: -1676.054
where: short stacking energy: -673.178
Base-Backbone interact. energy: -2.334
local terms energy: -694.400030
where:
bonds (distance) C4'-P energy: -137.950
bonds (distance) P-C4' energy: -134.184
flat angles C4'-P-C4' energy: -144.133
flat angles P-C4'-P energy: -103.934
tors. eta vs tors. theta energy: -174.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2278.289919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.289919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.289919 (E_RNA)
where:
Base-Base interactions energy: -1599.780
where: short stacking energy: -633.956
Base-Backbone interact. energy: 3.172
local terms energy: -681.682036
where:
bonds (distance) C4'-P energy: -124.259
bonds (distance) P-C4' energy: -137.622
flat angles C4'-P-C4' energy: -138.515
flat angles P-C4'-P energy: -96.828
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: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2154.004906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.004906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.004906 (E_RNA)
where:
Base-Base interactions energy: -1505.275
where: short stacking energy: -631.826
Base-Backbone interact. energy: -0.770
local terms energy: -647.959630
where:
bonds (distance) C4'-P energy: -126.850
bonds (distance) P-C4' energy: -112.275
flat angles C4'-P-C4' energy: -137.293
flat angles P-C4'-P energy: -89.292
tors. eta vs tors. theta energy: -182.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2072.295982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.295982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.295982 (E_RNA)
where:
Base-Base interactions energy: -1426.226
where: short stacking energy: -630.943
Base-Backbone interact. energy: -2.348
local terms energy: -643.722169
where:
bonds (distance) C4'-P energy: -112.339
bonds (distance) P-C4' energy: -113.456
flat angles C4'-P-C4' energy: -151.696
flat angles P-C4'-P energy: -86.823
tors. eta vs tors. theta energy: -179.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1987.590960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.590960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.590960 (E_RNA)
where:
Base-Base interactions energy: -1355.840
where: short stacking energy: -595.344
Base-Backbone interact. energy: -1.411
local terms energy: -630.340817
where:
bonds (distance) C4'-P energy: -128.478
bonds (distance) P-C4' energy: -110.298
flat angles C4'-P-C4' energy: -123.377
flat angles P-C4'-P energy: -98.127
tors. eta vs tors. theta energy: -170.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1809.984734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.984734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.984734 (E_RNA)
where:
Base-Base interactions energy: -1209.708
where: short stacking energy: -515.542
Base-Backbone interact. energy: 0.031
local terms energy: -600.307880
where:
bonds (distance) C4'-P energy: -116.094
bonds (distance) P-C4' energy: -122.782
flat angles C4'-P-C4' energy: -130.170
flat angles P-C4'-P energy: -75.437
tors. eta vs tors. theta energy: -155.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1636.376516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.376516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.376516 (E_RNA)
where:
Base-Base interactions energy: -1104.757
where: short stacking energy: -483.656
Base-Backbone interact. energy: -4.175
local terms energy: -527.443789
where:
bonds (distance) C4'-P energy: -101.985
bonds (distance) P-C4' energy: -102.527
flat angles C4'-P-C4' energy: -123.346
flat angles P-C4'-P energy: -82.260
tors. eta vs tors. theta energy: -117.326
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1400.980111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.980111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.980111 (E_RNA)
where:
Base-Base interactions energy: -901.468
where: short stacking energy: -397.361
Base-Backbone interact. energy: -2.898
local terms energy: -496.614021
where:
bonds (distance) C4'-P energy: -110.541
bonds (distance) P-C4' energy: -109.269
flat angles C4'-P-C4' energy: -108.533
flat angles P-C4'-P energy: -69.972
tors. eta vs tors. theta energy: -98.299
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: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -806.027045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.027045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.027045 (E_RNA)
where:
Base-Base interactions energy: -416.050
where: short stacking energy: -240.298
Base-Backbone interact. energy: -2.771
local terms energy: -387.206312
where:
bonds (distance) C4'-P energy: -103.092
bonds (distance) P-C4' energy: -123.733
flat angles C4'-P-C4' energy: -83.907
flat angles P-C4'-P energy: -69.817
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -712.375611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.375611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.375611 (E_RNA)
where:
Base-Base interactions energy: -337.853
where: short stacking energy: -194.392
Base-Backbone interact. energy: 2.000
local terms energy: -376.522692
where:
bonds (distance) C4'-P energy: -103.430
bonds (distance) P-C4' energy: -111.382
flat angles C4'-P-C4' energy: -95.762
flat angles P-C4'-P energy: -62.948
tors. eta vs tors. theta energy: -3.001
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: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2363.390377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.390377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.390377 (E_RNA)
where:
Base-Base interactions energy: -1671.802
where: short stacking energy: -686.473
Base-Backbone interact. energy: 0.520
local terms energy: -692.108375
where:
bonds (distance) C4'-P energy: -117.389
bonds (distance) P-C4' energy: -133.312
flat angles C4'-P-C4' energy: -148.800
flat angles P-C4'-P energy: -108.366
tors. eta vs tors. theta energy: -184.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2237.460241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.460241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.460241 (E_RNA)
where:
Base-Base interactions energy: -1577.306
where: short stacking energy: -644.022
Base-Backbone interact. energy: -4.749
local terms energy: -655.405260
where:
bonds (distance) C4'-P energy: -122.850
bonds (distance) P-C4' energy: -122.965
flat angles C4'-P-C4' energy: -144.950
flat angles P-C4'-P energy: -90.225
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: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2203.135916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.135916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.135916 (E_RNA)
where:
Base-Base interactions energy: -1530.925
where: short stacking energy: -631.483
Base-Backbone interact. energy: -4.127
local terms energy: -668.083982
where:
bonds (distance) C4'-P energy: -127.037
bonds (distance) P-C4' energy: -119.969
flat angles C4'-P-C4' energy: -152.142
flat angles P-C4'-P energy: -83.834
tors. eta vs tors. theta energy: -185.103
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: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2019.453288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.453288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.453288 (E_RNA)
where:
Base-Base interactions energy: -1398.495
where: short stacking energy: -594.136
Base-Backbone interact. energy: -2.366
local terms energy: -618.592476
where:
bonds (distance) C4'-P energy: -111.368
bonds (distance) P-C4' energy: -117.418
flat angles C4'-P-C4' energy: -136.567
flat angles P-C4'-P energy: -89.419
tors. eta vs tors. theta energy: -163.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1923.356527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.356527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.356527 (E_RNA)
where:
Base-Base interactions energy: -1316.045
where: short stacking energy: -579.159
Base-Backbone interact. energy: -1.068
local terms energy: -606.243250
where:
bonds (distance) C4'-P energy: -104.237
bonds (distance) P-C4' energy: -118.528
flat angles C4'-P-C4' energy: -131.232
flat angles P-C4'-P energy: -86.901
tors. eta vs tors. theta energy: -165.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1835.762923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.762923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.762923 (E_RNA)
where:
Base-Base interactions energy: -1264.349
where: short stacking energy: -550.561
Base-Backbone interact. energy: -0.810
local terms energy: -570.603025
where:
bonds (distance) C4'-P energy: -110.922
bonds (distance) P-C4' energy: -97.987
flat angles C4'-P-C4' energy: -121.698
flat angles P-C4'-P energy: -86.693
tors. eta vs tors. theta energy: -153.303
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: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1677.138473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.138473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.138473 (E_RNA)
where:
Base-Base interactions energy: -1126.797
where: short stacking energy: -485.753
Base-Backbone interact. energy: 1.481
local terms energy: -551.822518
where:
bonds (distance) C4'-P energy: -101.007
bonds (distance) P-C4' energy: -121.209
flat angles C4'-P-C4' energy: -121.719
flat angles P-C4'-P energy: -75.778
tors. eta vs tors. theta energy: -132.109
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: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1406.423976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.423976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.423976 (E_RNA)
where:
Base-Base interactions energy: -904.385
where: short stacking energy: -400.870
Base-Backbone interact. energy: -2.074
local terms energy: -499.965509
where:
bonds (distance) C4'-P energy: -101.857
bonds (distance) P-C4' energy: -119.859
flat angles C4'-P-C4' energy: -107.841
flat angles P-C4'-P energy: -84.914
tors. eta vs tors. theta energy: -85.495
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: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -877.094756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.094756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.094756 (E_RNA)
where:
Base-Base interactions energy: -498.319
where: short stacking energy: -258.014
Base-Backbone interact. energy: 1.152
local terms energy: -379.927594
where:
bonds (distance) C4'-P energy: -102.927
bonds (distance) P-C4' energy: -107.701
flat angles C4'-P-C4' energy: -92.554
flat angles P-C4'-P energy: -60.781
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -719.502211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.502211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.502211 (E_RNA)
where:
Base-Base interactions energy: -368.018
where: short stacking energy: -217.602
Base-Backbone interact. energy: 2.785
local terms energy: -354.269869
where:
bonds (distance) C4'-P energy: -114.259
bonds (distance) P-C4' energy: -117.633
flat angles C4'-P-C4' energy: -72.785
flat angles P-C4'-P energy: -51.156
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: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2384.591550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.591550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.591550 (E_RNA)
where:
Base-Base interactions energy: -1711.821
where: short stacking energy: -696.666
Base-Backbone interact. energy: -0.228
local terms energy: -672.541687
where:
bonds (distance) C4'-P energy: -118.334
bonds (distance) P-C4' energy: -123.240
flat angles C4'-P-C4' energy: -144.160
flat angles P-C4'-P energy: -98.953
tors. eta vs tors. theta energy: -187.854
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: 374
Temperature: 0.950000
Total energy: -2245.802916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.802916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.802916 (E_RNA)
where:
Base-Base interactions energy: -1589.759
where: short stacking energy: -631.516
Base-Backbone interact. energy: 1.605
local terms energy: -657.648937
where:
bonds (distance) C4'-P energy: -124.342
bonds (distance) P-C4' energy: -120.900
flat angles C4'-P-C4' energy: -141.292
flat angles P-C4'-P energy: -95.407
tors. eta vs tors. theta energy: -175.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2154.718540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.718540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.718540 (E_RNA)
where:
Base-Base interactions energy: -1497.547
where: short stacking energy: -626.222
Base-Backbone interact. energy: -2.070
local terms energy: -655.101887
where:
bonds (distance) C4'-P energy: -113.847
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -148.468
flat angles P-C4'-P energy: -94.040
tors. eta vs tors. theta energy: -179.554
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: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2053.997301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.997301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.997301 (E_RNA)
where:
Base-Base interactions energy: -1396.723
where: short stacking energy: -581.635
Base-Backbone interact. energy: -1.821
local terms energy: -655.453721
where:
bonds (distance) C4'-P energy: -126.153
bonds (distance) P-C4' energy: -135.141
flat angles C4'-P-C4' energy: -142.601
flat angles P-C4'-P energy: -93.941
tors. eta vs tors. theta energy: -157.619
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1945.895956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.895956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.895956 (E_RNA)
where:
Base-Base interactions energy: -1333.942
where: short stacking energy: -562.497
Base-Backbone interact. energy: -1.545
local terms energy: -610.409146
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -117.655
flat angles C4'-P-C4' energy: -131.101
flat angles P-C4'-P energy: -88.871
tors. eta vs tors. theta energy: -164.713
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: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1792.444362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.444362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.444362 (E_RNA)
where:
Base-Base interactions energy: -1194.539
where: short stacking energy: -527.949
Base-Backbone interact. energy: -0.562
local terms energy: -597.343349
where:
bonds (distance) C4'-P energy: -113.241
bonds (distance) P-C4' energy: -134.249
flat angles C4'-P-C4' energy: -127.824
flat angles P-C4'-P energy: -69.929
tors. eta vs tors. theta energy: -152.100
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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1627.141663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.141663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.141663 (E_RNA)
where:
Base-Base interactions energy: -1080.371
where: short stacking energy: -482.414
Base-Backbone interact. energy: -3.327
local terms energy: -543.443849
where:
bonds (distance) C4'-P energy: -104.690
bonds (distance) P-C4' energy: -116.366
flat angles C4'-P-C4' energy: -117.801
flat angles P-C4'-P energy: -86.266
tors. eta vs tors. theta energy: -118.320
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: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1350.582949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.582949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.582949 (E_RNA)
where:
Base-Base interactions energy: -859.512
where: short stacking energy: -372.563
Base-Backbone interact. energy: -1.720
local terms energy: -489.351137
where:
bonds (distance) C4'-P energy: -107.385
bonds (distance) P-C4' energy: -119.030
flat angles C4'-P-C4' energy: -132.119
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: -71.608
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: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -969.166539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.166539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.166539 (E_RNA)
where:
Base-Base interactions energy: -538.932
where: short stacking energy: -291.898
Base-Backbone interact. energy: 0.690
local terms energy: -430.924986
where:
bonds (distance) C4'-P energy: -104.189
bonds (distance) P-C4' energy: -117.465
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -29.127
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: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -707.824142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.824142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.824142 (E_RNA)
where:
Base-Base interactions energy: -335.637
where: short stacking energy: -178.761
Base-Backbone interact. energy: -1.052
local terms energy: -371.134579
where:
bonds (distance) C4'-P energy: -101.112
bonds (distance) P-C4' energy: -122.912
flat angles C4'-P-C4' energy: -91.365
flat angles P-C4'-P energy: -67.131
tors. eta vs tors. theta energy: 11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2380.784604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.784604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.784604 (E_RNA)
where:
Base-Base interactions energy: -1681.886
where: short stacking energy: -674.116
Base-Backbone interact. energy: -1.183
local terms energy: -697.716277
where:
bonds (distance) C4'-P energy: -132.179
bonds (distance) P-C4' energy: -142.329
flat angles C4'-P-C4' energy: -142.258
flat angles P-C4'-P energy: -103.519
tors. eta vs tors. theta energy: -177.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2247.034858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.034858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.034858 (E_RNA)
where:
Base-Base interactions energy: -1550.120
where: short stacking energy: -606.100
Base-Backbone interact. energy: -6.236
local terms energy: -690.678480
where:
bonds (distance) C4'-P energy: -121.276
bonds (distance) P-C4' energy: -127.756
flat angles C4'-P-C4' energy: -156.726
flat angles P-C4'-P energy: -102.186
tors. eta vs tors. theta energy: -182.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2199.399441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.399441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.399441 (E_RNA)
where:
Base-Base interactions energy: -1529.945
where: short stacking energy: -634.510
Base-Backbone interact. energy: -4.671
local terms energy: -664.783365
where:
bonds (distance) C4'-P energy: -112.311
bonds (distance) P-C4' energy: -137.861
flat angles C4'-P-C4' energy: -136.781
flat angles P-C4'-P energy: -96.528
tors. eta vs tors. theta energy: -181.303
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: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2039.130090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.130090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.130090 (E_RNA)
where:
Base-Base interactions energy: -1402.661
where: short stacking energy: -589.248
Base-Backbone interact. energy: -1.856
local terms energy: -634.612637
where:
bonds (distance) C4'-P energy: -117.082
bonds (distance) P-C4' energy: -123.158
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -90.050
tors. eta vs tors. theta energy: -165.437
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: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1925.579202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.579202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.579202 (E_RNA)
where:
Base-Base interactions energy: -1296.454
where: short stacking energy: -593.106
Base-Backbone interact. energy: 1.938
local terms energy: -631.062568
where:
bonds (distance) C4'-P energy: -122.222
bonds (distance) P-C4' energy: -128.244
flat angles C4'-P-C4' energy: -120.829
flat angles P-C4'-P energy: -86.922
tors. eta vs tors. theta energy: -172.845
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: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1815.120502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.120502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.120502 (E_RNA)
where:
Base-Base interactions energy: -1221.204
where: short stacking energy: -533.513
Base-Backbone interact. energy: -0.120
local terms energy: -593.796485
where:
bonds (distance) C4'-P energy: -107.895
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -123.185
flat angles P-C4'-P energy: -100.760
tors. eta vs tors. theta energy: -147.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1549.426415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.426415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.426415 (E_RNA)
where:
Base-Base interactions energy: -1028.467
where: short stacking energy: -428.752
Base-Backbone interact. energy: -2.662
local terms energy: -518.296924
where:
bonds (distance) C4'-P energy: -118.659
bonds (distance) P-C4' energy: -102.263
flat angles C4'-P-C4' energy: -119.425
flat angles P-C4'-P energy: -82.136
tors. eta vs tors. theta energy: -95.815
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: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1483.140719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.140719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.140719 (E_RNA)
where:
Base-Base interactions energy: -964.367
where: short stacking energy: -422.691
Base-Backbone interact. energy: -2.496
local terms energy: -516.277427
where:
bonds (distance) C4'-P energy: -87.709
bonds (distance) P-C4' energy: -121.639
flat angles C4'-P-C4' energy: -117.198
flat angles P-C4'-P energy: -85.321
tors. eta vs tors. theta energy: -104.410
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: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -893.113631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.113631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.113631 (E_RNA)
where:
Base-Base interactions energy: -484.811
where: short stacking energy: -232.120
Base-Backbone interact. energy: -0.687
local terms energy: -407.615967
where:
bonds (distance) C4'-P energy: -113.015
bonds (distance) P-C4' energy: -118.731
flat angles C4'-P-C4' energy: -115.043
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -717.416551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.416551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.416551 (E_RNA)
where:
Base-Base interactions energy: -352.799
where: short stacking energy: -200.293
Base-Backbone interact. energy: 7.106
local terms energy: -371.724005
where:
bonds (distance) C4'-P energy: -127.054
bonds (distance) P-C4' energy: -122.268
flat angles C4'-P-C4' energy: -80.536
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: 0.895
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2371.062776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.062776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.062776 (E_RNA)
where:
Base-Base interactions energy: -1681.849
where: short stacking energy: -687.607
Base-Backbone interact. energy: 3.050
local terms energy: -692.263551
where:
bonds (distance) C4'-P energy: -130.761
bonds (distance) P-C4' energy: -118.432
flat angles C4'-P-C4' energy: -151.955
flat angles P-C4'-P energy: -110.745
tors. eta vs tors. theta energy: -180.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2247.039300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.039300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.039300 (E_RNA)
where:
Base-Base interactions energy: -1588.168
where: short stacking energy: -614.542
Base-Backbone interact. energy: -3.478
local terms energy: -655.392864
where:
bonds (distance) C4'-P energy: -111.476
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -137.575
flat angles P-C4'-P energy: -99.689
tors. eta vs tors. theta energy: -178.579
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2181.678691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.678691 (E_RNA)
where:
Base-Base interactions energy: -1532.916
where: short stacking energy: -620.495
Base-Backbone interact. energy: 7.359
local terms energy: -656.121759
where:
bonds (distance) C4'-P energy: -122.611
bonds (distance) P-C4' energy: -117.177
flat angles C4'-P-C4' energy: -135.547
flat angles P-C4'-P energy: -103.197
tors. eta vs tors. theta energy: -177.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2084.066402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.066402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.066402 (E_RNA)
where:
Base-Base interactions energy: -1424.141
where: short stacking energy: -618.310
Base-Backbone interact. energy: -2.613
local terms energy: -657.313042
where:
bonds (distance) C4'-P energy: -125.395
bonds (distance) P-C4' energy: -113.521
flat angles C4'-P-C4' energy: -130.668
flat angles P-C4'-P energy: -99.444
tors. eta vs tors. theta energy: -188.286
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: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1906.050580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.050580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.050580 (E_RNA)
where:
Base-Base interactions energy: -1301.091
where: short stacking energy: -558.588
Base-Backbone interact. energy: -3.328
local terms energy: -601.631773
where:
bonds (distance) C4'-P energy: -102.547
bonds (distance) P-C4' energy: -120.245
flat angles C4'-P-C4' energy: -132.174
flat angles P-C4'-P energy: -92.266
tors. eta vs tors. theta energy: -154.400
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: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1849.840738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.840738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.840738 (E_RNA)
where:
Base-Base interactions energy: -1275.937
where: short stacking energy: -559.833
Base-Backbone interact. energy: -2.206
local terms energy: -571.698209
where:
bonds (distance) C4'-P energy: -100.980
bonds (distance) P-C4' energy: -110.462
flat angles C4'-P-C4' energy: -122.245
flat angles P-C4'-P energy: -80.876
tors. eta vs tors. theta energy: -157.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1599.347297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.347297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.347297 (E_RNA)
where:
Base-Base interactions energy: -1077.718
where: short stacking energy: -465.412
Base-Backbone interact. energy: 6.199
local terms energy: -527.829060
where:
bonds (distance) C4'-P energy: -117.447
bonds (distance) P-C4' energy: -109.042
flat angles C4'-P-C4' energy: -130.731
flat angles P-C4'-P energy: -72.520
tors. eta vs tors. theta energy: -98.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1489.530931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.530931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.530931 (E_RNA)
where:
Base-Base interactions energy: -974.727
where: short stacking energy: -423.485
Base-Backbone interact. energy: -1.292
local terms energy: -513.512518
where:
bonds (distance) C4'-P energy: -75.949
bonds (distance) P-C4' energy: -118.080
flat angles C4'-P-C4' energy: -123.745
flat angles P-C4'-P energy: -90.366
tors. eta vs tors. theta energy: -105.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -968.536342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.536342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.536342 (E_RNA)
where:
Base-Base interactions energy: -560.836
where: short stacking energy: -286.895
Base-Backbone interact. energy: 0.295
local terms energy: -407.995258
where:
bonds (distance) C4'-P energy: -86.418
bonds (distance) P-C4' energy: -110.701
flat angles C4'-P-C4' energy: -108.366
flat angles P-C4'-P energy: -81.085
tors. eta vs tors. theta energy: -21.425
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: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -766.883088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.883088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.883088 (E_RNA)
where:
Base-Base interactions energy: -380.288
where: short stacking energy: -220.575
Base-Backbone interact. energy: 0.542
local terms energy: -387.137552
where:
bonds (distance) C4'-P energy: -103.942
bonds (distance) P-C4' energy: -127.517
flat angles C4'-P-C4' energy: -89.674
flat angles P-C4'-P energy: -47.506
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2384.675929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.675929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.675929 (E_RNA)
where:
Base-Base interactions energy: -1674.764
where: short stacking energy: -676.025
Base-Backbone interact. energy: -5.302
local terms energy: -704.610575
where:
bonds (distance) C4'-P energy: -131.958
bonds (distance) P-C4' energy: -137.046
flat angles C4'-P-C4' energy: -145.953
flat angles P-C4'-P energy: -109.623
tors. eta vs tors. theta energy: -180.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2251.117586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.117586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.117586 (E_RNA)
where:
Base-Base interactions energy: -1557.079
where: short stacking energy: -637.146
Base-Backbone interact. energy: -3.493
local terms energy: -690.545450
where:
bonds (distance) C4'-P energy: -119.954
bonds (distance) P-C4' energy: -132.807
flat angles C4'-P-C4' energy: -145.609
flat angles P-C4'-P energy: -101.584
tors. eta vs tors. theta energy: -190.591
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: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2176.889581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.889581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.889581 (E_RNA)
where:
Base-Base interactions energy: -1556.738
where: short stacking energy: -619.458
Base-Backbone interact. energy: -0.769
local terms energy: -619.383053
where:
bonds (distance) C4'-P energy: -118.644
bonds (distance) P-C4' energy: -116.957
flat angles C4'-P-C4' energy: -145.027
flat angles P-C4'-P energy: -79.531
tors. eta vs tors. theta energy: -159.224
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: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2079.362209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.362209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.362209 (E_RNA)
where:
Base-Base interactions energy: -1427.227
where: short stacking energy: -607.530
Base-Backbone interact. energy: -3.237
local terms energy: -648.898064
where:
bonds (distance) C4'-P energy: -117.000
bonds (distance) P-C4' energy: -142.489
flat angles C4'-P-C4' energy: -140.835
flat angles P-C4'-P energy: -76.647
tors. eta vs tors. theta energy: -171.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1951.147949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.147949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.147949 (E_RNA)
where:
Base-Base interactions energy: -1321.690
where: short stacking energy: -577.352
Base-Backbone interact. energy: 0.920
local terms energy: -630.378122
where:
bonds (distance) C4'-P energy: -111.954
bonds (distance) P-C4' energy: -119.402
flat angles C4'-P-C4' energy: -131.106
flat angles P-C4'-P energy: -93.410
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: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1866.983150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.983150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.983150 (E_RNA)
where:
Base-Base interactions energy: -1282.552
where: short stacking energy: -551.316
Base-Backbone interact. energy: -1.225
local terms energy: -583.206263
where:
bonds (distance) C4'-P energy: -119.621
bonds (distance) P-C4' energy: -106.802
flat angles C4'-P-C4' energy: -129.178
flat angles P-C4'-P energy: -57.789
tors. eta vs tors. theta energy: -169.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1570.789200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.789200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.789200 (E_RNA)
where:
Base-Base interactions energy: -1066.146
where: short stacking energy: -457.127
Base-Backbone interact. energy: -2.702
local terms energy: -501.941704
where:
bonds (distance) C4'-P energy: -88.882
bonds (distance) P-C4' energy: -108.944
flat angles C4'-P-C4' energy: -123.074
flat angles P-C4'-P energy: -73.331
tors. eta vs tors. theta energy: -107.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1492.037494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.037494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.037494 (E_RNA)
where:
Base-Base interactions energy: -980.250
where: short stacking energy: -408.885
Base-Backbone interact. energy: 0.425
local terms energy: -512.213259
where:
bonds (distance) C4'-P energy: -109.737
bonds (distance) P-C4' energy: -102.379
flat angles C4'-P-C4' energy: -124.221
flat angles P-C4'-P energy: -76.890
tors. eta vs tors. theta energy: -98.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -953.005496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.005496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.005496 (E_RNA)
where:
Base-Base interactions energy: -519.256
where: short stacking energy: -251.917
Base-Backbone interact. energy: 0.477
local terms energy: -434.226255
where:
bonds (distance) C4'-P energy: -110.571
bonds (distance) P-C4' energy: -136.182
flat angles C4'-P-C4' energy: -84.528
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -37.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -709.067992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.067992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.067992 (E_RNA)
where:
Base-Base interactions energy: -353.550
where: short stacking energy: -206.807
Base-Backbone interact. energy: -0.373
local terms energy: -355.144728
where:
bonds (distance) C4'-P energy: -90.169
bonds (distance) P-C4' energy: -116.481
flat angles C4'-P-C4' energy: -75.105
flat angles P-C4'-P energy: -69.941
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2371.286878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.286878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.286878 (E_RNA)
where:
Base-Base interactions energy: -1678.237
where: short stacking energy: -668.436
Base-Backbone interact. energy: -3.904
local terms energy: -689.146027
where:
bonds (distance) C4'-P energy: -136.376
bonds (distance) P-C4' energy: -128.066
flat angles C4'-P-C4' energy: -145.874
flat angles P-C4'-P energy: -102.110
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: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2219.879080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.879080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.879080 (E_RNA)
where:
Base-Base interactions energy: -1538.206
where: short stacking energy: -624.793
Base-Backbone interact. energy: -4.393
local terms energy: -677.279880
where:
bonds (distance) C4'-P energy: -121.304
bonds (distance) P-C4' energy: -131.898
flat angles C4'-P-C4' energy: -137.538
flat angles P-C4'-P energy: -99.067
tors. eta vs tors. theta energy: -187.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2206.738097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.738097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.738097 (E_RNA)
where:
Base-Base interactions energy: -1539.381
where: short stacking energy: -624.546
Base-Backbone interact. energy: -1.368
local terms energy: -665.988557
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -128.293
flat angles C4'-P-C4' energy: -144.260
flat angles P-C4'-P energy: -97.310
tors. eta vs tors. theta energy: -170.954
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2092.045662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.045662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.045662 (E_RNA)
where:
Base-Base interactions energy: -1449.273
where: short stacking energy: -615.831
Base-Backbone interact. energy: -2.897
local terms energy: -639.875219
where:
bonds (distance) C4'-P energy: -120.780
bonds (distance) P-C4' energy: -119.160
flat angles C4'-P-C4' energy: -120.367
flat angles P-C4'-P energy: -91.001
tors. eta vs tors. theta energy: -188.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1957.958091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.958091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.958091 (E_RNA)
where:
Base-Base interactions energy: -1335.423
where: short stacking energy: -607.732
Base-Backbone interact. energy: 4.151
local terms energy: -626.686209
where:
bonds (distance) C4'-P energy: -109.973
bonds (distance) P-C4' energy: -138.824
flat angles C4'-P-C4' energy: -122.819
flat angles P-C4'-P energy: -81.353
tors. eta vs tors. theta energy: -173.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1893.503181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.503181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.503181 (E_RNA)
where:
Base-Base interactions energy: -1278.089
where: short stacking energy: -553.128
Base-Backbone interact. energy: -1.460
local terms energy: -613.954457
where:
bonds (distance) C4'-P energy: -125.682
bonds (distance) P-C4' energy: -119.379
flat angles C4'-P-C4' energy: -126.568
flat angles P-C4'-P energy: -80.363
tors. eta vs tors. theta energy: -161.962
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: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1569.715328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.715328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.715328 (E_RNA)
where:
Base-Base interactions energy: -1034.728
where: short stacking energy: -449.794
Base-Backbone interact. energy: 2.504
local terms energy: -537.491671
where:
bonds (distance) C4'-P energy: -86.434
bonds (distance) P-C4' energy: -138.427
flat angles C4'-P-C4' energy: -129.975
flat angles P-C4'-P energy: -94.657
tors. eta vs tors. theta energy: -87.998
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: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1505.031019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.031019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.031019 (E_RNA)
where:
Base-Base interactions energy: -1007.996
where: short stacking energy: -411.595
Base-Backbone interact. energy: -0.775
local terms energy: -496.259555
where:
bonds (distance) C4'-P energy: -119.956
bonds (distance) P-C4' energy: -125.224
flat angles C4'-P-C4' energy: -93.884
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -81.537
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: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -959.793744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.793744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.793744 (E_RNA)
where:
Base-Base interactions energy: -551.288
where: short stacking energy: -284.380
Base-Backbone interact. energy: -3.928
local terms energy: -404.577259
where:
bonds (distance) C4'-P energy: -102.498
bonds (distance) P-C4' energy: -103.218
flat angles C4'-P-C4' energy: -101.226
flat angles P-C4'-P energy: -56.723
tors. eta vs tors. theta energy: -40.912
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: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -718.719495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.719495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.719495 (E_RNA)
where:
Base-Base interactions energy: -381.813
where: short stacking energy: -210.037
Base-Backbone interact. energy: -1.486
local terms energy: -335.421114
where:
bonds (distance) C4'-P energy: -90.518
bonds (distance) P-C4' energy: -119.467
flat angles C4'-P-C4' energy: -79.610
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -3.911
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: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2365.386474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.386474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.386474 (E_RNA)
where:
Base-Base interactions energy: -1685.635
where: short stacking energy: -660.980
Base-Backbone interact. energy: 0.731
local terms energy: -680.482226
where:
bonds (distance) C4'-P energy: -139.085
bonds (distance) P-C4' energy: -116.489
flat angles C4'-P-C4' energy: -140.090
flat angles P-C4'-P energy: -104.065
tors. eta vs tors. theta energy: -180.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2238.507378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.507378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.507378 (E_RNA)
where:
Base-Base interactions energy: -1540.439
where: short stacking energy: -630.441
Base-Backbone interact. energy: -3.910
local terms energy: -694.157696
where:
bonds (distance) C4'-P energy: -141.698
bonds (distance) P-C4' energy: -131.428
flat angles C4'-P-C4' energy: -148.538
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -174.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2172.863912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.863912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.863912 (E_RNA)
where:
Base-Base interactions energy: -1521.429
where: short stacking energy: -643.822
Base-Backbone interact. energy: -2.546
local terms energy: -648.889575
where:
bonds (distance) C4'-P energy: -136.066
bonds (distance) P-C4' energy: -117.556
flat angles C4'-P-C4' energy: -123.964
flat angles P-C4'-P energy: -94.437
tors. eta vs tors. theta energy: -176.866
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: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2093.442699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.442699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.442699 (E_RNA)
where:
Base-Base interactions energy: -1465.788
where: short stacking energy: -613.861
Base-Backbone interact. energy: -1.666
local terms energy: -625.988551
where:
bonds (distance) C4'-P energy: -96.492
bonds (distance) P-C4' energy: -117.094
flat angles C4'-P-C4' energy: -151.831
flat angles P-C4'-P energy: -77.635
tors. eta vs tors. theta energy: -182.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1916.861795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.861795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.861795 (E_RNA)
where:
Base-Base interactions energy: -1313.620
where: short stacking energy: -563.024
Base-Backbone interact. energy: 3.225
local terms energy: -606.466806
where:
bonds (distance) C4'-P energy: -112.508
bonds (distance) P-C4' energy: -121.944
flat angles C4'-P-C4' energy: -126.960
flat angles P-C4'-P energy: -72.904
tors. eta vs tors. theta energy: -172.151
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: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1849.297424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.297424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.297424 (E_RNA)
where:
Base-Base interactions energy: -1259.000
where: short stacking energy: -545.548
Base-Backbone interact. energy: -0.441
local terms energy: -589.856616
where:
bonds (distance) C4'-P energy: -121.071
bonds (distance) P-C4' energy: -112.633
flat angles C4'-P-C4' energy: -118.054
flat angles P-C4'-P energy: -81.263
tors. eta vs tors. theta energy: -156.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1567.982173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.982173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.982173 (E_RNA)
where:
Base-Base interactions energy: -1023.830
where: short stacking energy: -431.201
Base-Backbone interact. energy: -1.170
local terms energy: -542.982356
where:
bonds (distance) C4'-P energy: -110.053
bonds (distance) P-C4' energy: -120.348
flat angles C4'-P-C4' energy: -119.783
flat angles P-C4'-P energy: -80.947
tors. eta vs tors. theta energy: -111.851
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: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1519.164809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.164809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.164809 (E_RNA)
where:
Base-Base interactions energy: -1023.021
where: short stacking energy: -433.693
Base-Backbone interact. energy: -3.357
local terms energy: -492.787405
where:
bonds (distance) C4'-P energy: -106.457
bonds (distance) P-C4' energy: -120.544
flat angles C4'-P-C4' energy: -101.955
flat angles P-C4'-P energy: -60.140
tors. eta vs tors. theta energy: -103.691
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: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1027.516520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.516520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.516520 (E_RNA)
where:
Base-Base interactions energy: -595.730
where: short stacking energy: -286.960
Base-Backbone interact. energy: 0.334
local terms energy: -432.120783
where:
bonds (distance) C4'-P energy: -105.307
bonds (distance) P-C4' energy: -107.008
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -72.947
tors. eta vs tors. theta energy: -40.613
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: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -731.021504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.021504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.021504 (E_RNA)
where:
Base-Base interactions energy: -369.171
where: short stacking energy: -192.753
Base-Backbone interact. energy: -1.998
local terms energy: -359.852412
where:
bonds (distance) C4'-P energy: -113.443
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -91.147
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2370.874074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.874074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.874074 (E_RNA)
where:
Base-Base interactions energy: -1693.664
where: short stacking energy: -683.338
Base-Backbone interact. energy: -4.440
local terms energy: -672.770182
where:
bonds (distance) C4'-P energy: -125.326
bonds (distance) P-C4' energy: -132.435
flat angles C4'-P-C4' energy: -149.590
flat angles P-C4'-P energy: -95.172
tors. eta vs tors. theta energy: -170.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2244.021113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.021113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.021113 (E_RNA)
where:
Base-Base interactions energy: -1570.614
where: short stacking energy: -634.531
Base-Backbone interact. energy: -2.790
local terms energy: -670.617472
where:
bonds (distance) C4'-P energy: -126.499
bonds (distance) P-C4' energy: -129.264
flat angles C4'-P-C4' energy: -144.146
flat angles P-C4'-P energy: -98.146
tors. eta vs tors. theta energy: -172.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2167.870716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.870716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.870716 (E_RNA)
where:
Base-Base interactions energy: -1505.544
where: short stacking energy: -613.894
Base-Backbone interact. energy: -2.787
local terms energy: -659.540088
where:
bonds (distance) C4'-P energy: -113.172
bonds (distance) P-C4' energy: -137.088
flat angles C4'-P-C4' energy: -141.948
flat angles P-C4'-P energy: -89.379
tors. eta vs tors. theta energy: -177.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2103.288612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.288612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.288612 (E_RNA)
where:
Base-Base interactions energy: -1439.019
where: short stacking energy: -633.894
Base-Backbone interact. energy: -2.513
local terms energy: -661.756234
where:
bonds (distance) C4'-P energy: -125.542
bonds (distance) P-C4' energy: -109.522
flat angles C4'-P-C4' energy: -139.521
flat angles P-C4'-P energy: -103.601
tors. eta vs tors. theta energy: -183.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1927.787874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.787874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.787874 (E_RNA)
where:
Base-Base interactions energy: -1297.359
where: short stacking energy: -602.836
Base-Backbone interact. energy: 0.126
local terms energy: -630.554188
where:
bonds (distance) C4'-P energy: -101.126
bonds (distance) P-C4' energy: -122.138
flat angles C4'-P-C4' energy: -148.086
flat angles P-C4'-P energy: -83.661
tors. eta vs tors. theta energy: -175.544
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: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1863.802851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.802851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.802851 (E_RNA)
where:
Base-Base interactions energy: -1220.991
where: short stacking energy: -540.141
Base-Backbone interact. energy: -3.960
local terms energy: -638.851963
where:
bonds (distance) C4'-P energy: -121.546
bonds (distance) P-C4' energy: -117.354
flat angles C4'-P-C4' energy: -151.992
flat angles P-C4'-P energy: -81.359
tors. eta vs tors. theta energy: -166.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1587.391153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.391153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.391153 (E_RNA)
where:
Base-Base interactions energy: -1019.173
where: short stacking energy: -474.586
Base-Backbone interact. energy: -2.207
local terms energy: -566.011498
where:
bonds (distance) C4'-P energy: -110.841
bonds (distance) P-C4' energy: -124.677
flat angles C4'-P-C4' energy: -136.752
flat angles P-C4'-P energy: -79.027
tors. eta vs tors. theta energy: -114.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1483.798542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.798542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.798542 (E_RNA)
where:
Base-Base interactions energy: -1004.606
where: short stacking energy: -438.896
Base-Backbone interact. energy: 0.501
local terms energy: -479.693137
where:
bonds (distance) C4'-P energy: -101.446
bonds (distance) P-C4' energy: -102.539
flat angles C4'-P-C4' energy: -122.955
flat angles P-C4'-P energy: -74.537
tors. eta vs tors. theta energy: -78.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1009.667804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.667804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.667804 (E_RNA)
where:
Base-Base interactions energy: -608.183
where: short stacking energy: -303.695
Base-Backbone interact. energy: -1.817
local terms energy: -399.667827
where:
bonds (distance) C4'-P energy: -117.350
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -92.680
flat angles P-C4'-P energy: -48.469
tors. eta vs tors. theta energy: -43.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -673.211917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.211917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.211917 (E_RNA)
where:
Base-Base interactions energy: -325.384
where: short stacking energy: -191.678
Base-Backbone interact. energy: 2.891
local terms energy: -350.719025
where:
bonds (distance) C4'-P energy: -93.771
bonds (distance) P-C4' energy: -120.479
flat angles C4'-P-C4' energy: -83.809
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2380.908735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.908735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.908735 (E_RNA)
where:
Base-Base interactions energy: -1682.092
where: short stacking energy: -677.048
Base-Backbone interact. energy: -3.573
local terms energy: -695.243965
where:
bonds (distance) C4'-P energy: -131.616
bonds (distance) P-C4' energy: -122.603
flat angles C4'-P-C4' energy: -154.893
flat angles P-C4'-P energy: -104.301
tors. eta vs tors. theta energy: -181.831
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: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2278.240084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.240084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.240084 (E_RNA)
where:
Base-Base interactions energy: -1598.507
where: short stacking energy: -652.831
Base-Backbone interact. energy: -3.225
local terms energy: -676.508160
where:
bonds (distance) C4'-P energy: -130.709
bonds (distance) P-C4' energy: -120.335
flat angles C4'-P-C4' energy: -147.766
flat angles P-C4'-P energy: -101.379
tors. eta vs tors. theta energy: -176.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2186.383668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.383668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.383668 (E_RNA)
where:
Base-Base interactions energy: -1522.308
where: short stacking energy: -619.031
Base-Backbone interact. energy: 1.278
local terms energy: -665.353888
where:
bonds (distance) C4'-P energy: -119.626
bonds (distance) P-C4' energy: -133.239
flat angles C4'-P-C4' energy: -141.270
flat angles P-C4'-P energy: -90.656
tors. eta vs tors. theta energy: -180.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2094.132633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.132633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.132633 (E_RNA)
where:
Base-Base interactions energy: -1446.399
where: short stacking energy: -624.933
Base-Backbone interact. energy: -1.323
local terms energy: -646.411211
where:
bonds (distance) C4'-P energy: -124.086
bonds (distance) P-C4' energy: -132.795
flat angles C4'-P-C4' energy: -143.122
flat angles P-C4'-P energy: -73.100
tors. eta vs tors. theta energy: -173.307
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: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1959.393066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.393066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.393066 (E_RNA)
where:
Base-Base interactions energy: -1317.314
where: short stacking energy: -568.594
Base-Backbone interact. energy: -2.416
local terms energy: -639.662854
where:
bonds (distance) C4'-P energy: -110.766
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -133.490
flat angles P-C4'-P energy: -87.936
tors. eta vs tors. theta energy: -179.166
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: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1838.527083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.527083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.527083 (E_RNA)
where:
Base-Base interactions energy: -1219.222
where: short stacking energy: -540.279
Base-Backbone interact. energy: -2.898
local terms energy: -616.406681
where:
bonds (distance) C4'-P energy: -110.650
bonds (distance) P-C4' energy: -126.620
flat angles C4'-P-C4' energy: -139.808
flat angles P-C4'-P energy: -99.427
tors. eta vs tors. theta energy: -139.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1579.466349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.466349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.466349 (E_RNA)
where:
Base-Base interactions energy: -1050.947
where: short stacking energy: -462.864
Base-Backbone interact. energy: -2.862
local terms energy: -525.658263
where:
bonds (distance) C4'-P energy: -107.439
bonds (distance) P-C4' energy: -101.770
flat angles C4'-P-C4' energy: -127.775
flat angles P-C4'-P energy: -74.552
tors. eta vs tors. theta energy: -114.122
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: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1454.991639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.991639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.991639 (E_RNA)
where:
Base-Base interactions energy: -976.429
where: short stacking energy: -404.472
Base-Backbone interact. energy: 1.400
local terms energy: -479.963364
where:
bonds (distance) C4'-P energy: -105.304
bonds (distance) P-C4' energy: -113.308
flat angles C4'-P-C4' energy: -101.409
flat angles P-C4'-P energy: -75.654
tors. eta vs tors. theta energy: -84.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1017.793041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.793041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.793041 (E_RNA)
where:
Base-Base interactions energy: -654.508
where: short stacking energy: -283.216
Base-Backbone interact. energy: -1.561
local terms energy: -361.724116
where:
bonds (distance) C4'-P energy: -90.589
bonds (distance) P-C4' energy: -98.060
flat angles C4'-P-C4' energy: -89.496
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -35.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -678.127589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.127589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.127589 (E_RNA)
where:
Base-Base interactions energy: -334.082
where: short stacking energy: -199.783
Base-Backbone interact. energy: -1.122
local terms energy: -342.924044
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -111.986
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: 16.730
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: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2383.900481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.900481 (E_RNA)
where:
Base-Base interactions energy: -1690.586
where: short stacking energy: -669.670
Base-Backbone interact. energy: 2.434
local terms energy: -695.748443
where:
bonds (distance) C4'-P energy: -123.196
bonds (distance) P-C4' energy: -137.394
flat angles C4'-P-C4' energy: -147.915
flat angles P-C4'-P energy: -106.637
tors. eta vs tors. theta energy: -180.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2288.614649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.614649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.614649 (E_RNA)
where:
Base-Base interactions energy: -1607.410
where: short stacking energy: -634.215
Base-Backbone interact. energy: 2.646
local terms energy: -683.850688
where:
bonds (distance) C4'-P energy: -132.165
bonds (distance) P-C4' energy: -135.671
flat angles C4'-P-C4' energy: -150.585
flat angles P-C4'-P energy: -94.113
tors. eta vs tors. theta energy: -171.317
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: 382
Temperature: 1.000000
Total energy: -2203.192742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.192742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.192742 (E_RNA)
where:
Base-Base interactions energy: -1517.954
where: short stacking energy: -647.435
Base-Backbone interact. energy: -0.438
local terms energy: -684.800968
where:
bonds (distance) C4'-P energy: -128.162
bonds (distance) P-C4' energy: -127.461
flat angles C4'-P-C4' energy: -147.894
flat angles P-C4'-P energy: -105.119
tors. eta vs tors. theta energy: -176.166
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2120.445738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.445738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.445738 (E_RNA)
where:
Base-Base interactions energy: -1442.256
where: short stacking energy: -610.390
Base-Backbone interact. energy: -0.953
local terms energy: -677.236848
where:
bonds (distance) C4'-P energy: -122.523
bonds (distance) P-C4' energy: -143.435
flat angles C4'-P-C4' energy: -135.639
flat angles P-C4'-P energy: -95.774
tors. eta vs tors. theta energy: -179.866
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: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1930.435452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.435452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.435452 (E_RNA)
where:
Base-Base interactions energy: -1308.845
where: short stacking energy: -575.777
Base-Backbone interact. energy: -2.004
local terms energy: -619.586109
where:
bonds (distance) C4'-P energy: -130.885
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -139.856
flat angles P-C4'-P energy: -75.206
tors. eta vs tors. theta energy: -163.146
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1792.042670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.042670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.042670 (E_RNA)
where:
Base-Base interactions energy: -1222.774
where: short stacking energy: -524.438
Base-Backbone interact. energy: 0.707
local terms energy: -569.975700
where:
bonds (distance) C4'-P energy: -107.025
bonds (distance) P-C4' energy: -108.938
flat angles C4'-P-C4' energy: -123.272
flat angles P-C4'-P energy: -84.954
tors. eta vs tors. theta energy: -145.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1574.626438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.626438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.626438 (E_RNA)
where:
Base-Base interactions energy: -1046.895
where: short stacking energy: -451.906
Base-Backbone interact. energy: -1.603
local terms energy: -526.129174
where:
bonds (distance) C4'-P energy: -100.568
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -110.638
flat angles P-C4'-P energy: -82.348
tors. eta vs tors. theta energy: -105.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1503.018194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.018194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.018194 (E_RNA)
where:
Base-Base interactions energy: -1024.682
where: short stacking energy: -417.267
Base-Backbone interact. energy: 0.655
local terms energy: -478.990404
where:
bonds (distance) C4'-P energy: -81.334
bonds (distance) P-C4' energy: -121.781
flat angles C4'-P-C4' energy: -104.506
flat angles P-C4'-P energy: -73.412
tors. eta vs tors. theta energy: -97.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1061.090915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.090915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.090915 (E_RNA)
where:
Base-Base interactions energy: -658.340
where: short stacking energy: -313.956
Base-Backbone interact. energy: -2.785
local terms energy: -399.965717
where:
bonds (distance) C4'-P energy: -88.564
bonds (distance) P-C4' energy: -117.589
flat angles C4'-P-C4' energy: -102.291
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: -46.322
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: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -667.181523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.181523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.181523 (E_RNA)
where:
Base-Base interactions energy: -294.926
where: short stacking energy: -171.186
Base-Backbone interact. energy: -3.921
local terms energy: -368.334192
where:
bonds (distance) C4'-P energy: -109.165
bonds (distance) P-C4' energy: -118.779
flat angles C4'-P-C4' energy: -95.762
flat angles P-C4'-P energy: -54.384
tors. eta vs tors. theta energy: 9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2395.574526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.574526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.574526 (E_RNA)
where:
Base-Base interactions energy: -1677.376
where: short stacking energy: -689.347
Base-Backbone interact. energy: -1.095
local terms energy: -717.103760
where:
bonds (distance) C4'-P energy: -136.053
bonds (distance) P-C4' energy: -133.915
flat angles C4'-P-C4' energy: -153.635
flat angles P-C4'-P energy: -105.700
tors. eta vs tors. theta energy: -187.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2283.115429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.115429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.115429 (E_RNA)
where:
Base-Base interactions energy: -1626.379
where: short stacking energy: -656.650
Base-Backbone interact. energy: -1.565
local terms energy: -655.171825
where:
bonds (distance) C4'-P energy: -114.859
bonds (distance) P-C4' energy: -112.300
flat angles C4'-P-C4' energy: -157.371
flat angles P-C4'-P energy: -86.512
tors. eta vs tors. theta energy: -184.129
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: 383
Temperature: 1.000000
Total energy: -2183.086227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.086227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.086227 (E_RNA)
where:
Base-Base interactions energy: -1512.279
where: short stacking energy: -637.035
Base-Backbone interact. energy: -4.133
local terms energy: -666.674499
where:
bonds (distance) C4'-P energy: -116.343
bonds (distance) P-C4' energy: -124.934
flat angles C4'-P-C4' energy: -145.037
flat angles P-C4'-P energy: -101.036
tors. eta vs tors. theta energy: -179.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2096.551140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.551140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.551140 (E_RNA)
where:
Base-Base interactions energy: -1435.384
where: short stacking energy: -620.098
Base-Backbone interact. energy: -1.778
local terms energy: -659.388987
where:
bonds (distance) C4'-P energy: -124.360
bonds (distance) P-C4' energy: -115.304
flat angles C4'-P-C4' energy: -131.955
flat angles P-C4'-P energy: -98.412
tors. eta vs tors. theta energy: -189.359
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: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1938.300877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.300877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.300877 (E_RNA)
where:
Base-Base interactions energy: -1307.678
where: short stacking energy: -567.411
Base-Backbone interact. energy: 0.162
local terms energy: -630.784999
where:
bonds (distance) C4'-P energy: -118.070
bonds (distance) P-C4' energy: -119.452
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -91.582
tors. eta vs tors. theta energy: -172.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1814.946101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.946101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.946101 (E_RNA)
where:
Base-Base interactions energy: -1218.168
where: short stacking energy: -500.309
Base-Backbone interact. energy: -0.823
local terms energy: -595.955496
where:
bonds (distance) C4'-P energy: -108.922
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -137.361
flat angles P-C4'-P energy: -96.303
tors. eta vs tors. theta energy: -138.472
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: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1553.333456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.333456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.333456 (E_RNA)
where:
Base-Base interactions energy: -1027.496
where: short stacking energy: -426.695
Base-Backbone interact. energy: 2.604
local terms energy: -528.440864
where:
bonds (distance) C4'-P energy: -121.721
bonds (distance) P-C4' energy: -101.493
flat angles C4'-P-C4' energy: -127.035
flat angles P-C4'-P energy: -78.179
tors. eta vs tors. theta energy: -100.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1574.392212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.392212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.392212 (E_RNA)
where:
Base-Base interactions energy: -1033.642
where: short stacking energy: -455.880
Base-Backbone interact. energy: -0.839
local terms energy: -539.911728
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -126.360
flat angles C4'-P-C4' energy: -109.905
flat angles P-C4'-P energy: -84.379
tors. eta vs tors. theta energy: -109.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1030.382961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.382961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.382961 (E_RNA)
where:
Base-Base interactions energy: -593.310
where: short stacking energy: -300.336
Base-Backbone interact. energy: 3.461
local terms energy: -440.533485
where:
bonds (distance) C4'-P energy: -107.192
bonds (distance) P-C4' energy: -115.031
flat angles C4'-P-C4' energy: -94.681
flat angles P-C4'-P energy: -64.514
tors. eta vs tors. theta energy: -59.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -644.151674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.151674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.151674 (E_RNA)
where:
Base-Base interactions energy: -285.257
where: short stacking energy: -186.726
Base-Backbone interact. energy: 1.703
local terms energy: -360.597726
where:
bonds (distance) C4'-P energy: -106.955
bonds (distance) P-C4' energy: -103.362
flat angles C4'-P-C4' energy: -94.015
flat angles P-C4'-P energy: -50.109
tors. eta vs tors. theta energy: -6.157
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: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2407.410935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.410935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.410935 (E_RNA)
where:
Base-Base interactions energy: -1697.959
where: short stacking energy: -682.747
Base-Backbone interact. energy: -5.289
local terms energy: -704.162700
where:
bonds (distance) C4'-P energy: -136.327
bonds (distance) P-C4' energy: -140.090
flat angles C4'-P-C4' energy: -146.027
flat angles P-C4'-P energy: -101.527
tors. eta vs tors. theta energy: -180.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2258.502863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.502863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.502863 (E_RNA)
where:
Base-Base interactions energy: -1591.685
where: short stacking energy: -623.739
Base-Backbone interact. energy: -2.628
local terms energy: -664.190483
where:
bonds (distance) C4'-P energy: -133.284
bonds (distance) P-C4' energy: -126.206
flat angles C4'-P-C4' energy: -143.795
flat angles P-C4'-P energy: -88.388
tors. eta vs tors. theta energy: -172.518
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: 384
Temperature: 1.000000
Total energy: -2237.547123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.547123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.547123 (E_RNA)
where:
Base-Base interactions energy: -1570.458
where: short stacking energy: -659.867
Base-Backbone interact. energy: -2.151
local terms energy: -664.938592
where:
bonds (distance) C4'-P energy: -129.895
bonds (distance) P-C4' energy: -110.359
flat angles C4'-P-C4' energy: -147.775
flat angles P-C4'-P energy: -86.370
tors. eta vs tors. theta energy: -190.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2090.398215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.398215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.398215 (E_RNA)
where:
Base-Base interactions energy: -1433.226
where: short stacking energy: -605.515
Base-Backbone interact. energy: 0.674
local terms energy: -657.846224
where:
bonds (distance) C4'-P energy: -125.839
bonds (distance) P-C4' energy: -125.040
flat angles C4'-P-C4' energy: -136.680
flat angles P-C4'-P energy: -88.922
tors. eta vs tors. theta energy: -181.365
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: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1897.024114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.024114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.024114 (E_RNA)
where:
Base-Base interactions energy: -1298.595
where: short stacking energy: -570.957
Base-Backbone interact. energy: 3.186
local terms energy: -601.615550
where:
bonds (distance) C4'-P energy: -120.985
bonds (distance) P-C4' energy: -122.766
flat angles C4'-P-C4' energy: -120.308
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -160.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1808.694469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.694469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.694469 (E_RNA)
where:
Base-Base interactions energy: -1249.324
where: short stacking energy: -506.991
Base-Backbone interact. energy: -2.525
local terms energy: -556.845460
where:
bonds (distance) C4'-P energy: -102.400
bonds (distance) P-C4' energy: -104.024
flat angles C4'-P-C4' energy: -137.957
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: -134.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1622.758676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.758676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.758676 (E_RNA)
where:
Base-Base interactions energy: -1081.934
where: short stacking energy: -483.533
Base-Backbone interact. energy: 0.630
local terms energy: -541.455024
where:
bonds (distance) C4'-P energy: -97.958
bonds (distance) P-C4' energy: -106.895
flat angles C4'-P-C4' energy: -123.604
flat angles P-C4'-P energy: -78.630
tors. eta vs tors. theta energy: -134.368
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: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1543.693846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.693846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.693846 (E_RNA)
where:
Base-Base interactions energy: -1024.621
where: short stacking energy: -439.009
Base-Backbone interact. energy: -3.152
local terms energy: -515.920442
where:
bonds (distance) C4'-P energy: -116.385
bonds (distance) P-C4' energy: -126.429
flat angles C4'-P-C4' energy: -104.654
flat angles P-C4'-P energy: -61.880
tors. eta vs tors. theta energy: -106.572
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: 384
Temperature: 1.300000
Total energy: -1063.762251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.762251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.762251 (E_RNA)
where:
Base-Base interactions energy: -634.327
where: short stacking energy: -339.927
Base-Backbone interact. energy: 0.626
local terms energy: -430.060803
where:
bonds (distance) C4'-P energy: -107.236
bonds (distance) P-C4' energy: -119.010
flat angles C4'-P-C4' energy: -102.434
flat angles P-C4'-P energy: -47.058
tors. eta vs tors. theta energy: -54.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -602.260900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.260900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.260900 (E_RNA)
where:
Base-Base interactions energy: -247.562
where: short stacking energy: -166.910
Base-Backbone interact. energy: -1.948
local terms energy: -352.750307
where:
bonds (distance) C4'-P energy: -101.414
bonds (distance) P-C4' energy: -110.730
flat angles C4'-P-C4' energy: -96.951
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: 11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2404.756357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.756357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.756357 (E_RNA)
where:
Base-Base interactions energy: -1693.459
where: short stacking energy: -697.564
Base-Backbone interact. energy: -0.084
local terms energy: -711.213454
where:
bonds (distance) C4'-P energy: -134.862
bonds (distance) P-C4' energy: -136.980
flat angles C4'-P-C4' energy: -151.257
flat angles P-C4'-P energy: -104.817
tors. eta vs tors. theta energy: -183.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2255.855804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.855804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.855804 (E_RNA)
where:
Base-Base interactions energy: -1588.507
where: short stacking energy: -627.480
Base-Backbone interact. energy: -2.868
local terms energy: -664.480871
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -130.735
flat angles C4'-P-C4' energy: -150.587
flat angles P-C4'-P energy: -92.499
tors. eta vs tors. theta energy: -171.845
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: 385
Temperature: 1.000000
Total energy: -2209.257547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.257547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.257547 (E_RNA)
where:
Base-Base interactions energy: -1544.120
where: short stacking energy: -632.208
Base-Backbone interact. energy: -3.979
local terms energy: -661.158972
where:
bonds (distance) C4'-P energy: -119.606
bonds (distance) P-C4' energy: -115.802
flat angles C4'-P-C4' energy: -145.372
flat angles P-C4'-P energy: -90.533
tors. eta vs tors. theta energy: -189.847
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: 385
Temperature: 1.050000
Total energy: -2048.973415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.973415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.973415 (E_RNA)
where:
Base-Base interactions energy: -1405.313
where: short stacking energy: -610.197
Base-Backbone interact. energy: -4.280
local terms energy: -639.379759
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -114.806
flat angles C4'-P-C4' energy: -136.326
flat angles P-C4'-P energy: -86.590
tors. eta vs tors. theta energy: -178.280
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: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1880.351761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.351761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.351761 (E_RNA)
where:
Base-Base interactions energy: -1295.262
where: short stacking energy: -567.105
Base-Backbone interact. energy: -2.864
local terms energy: -582.225016
where:
bonds (distance) C4'-P energy: -106.440
bonds (distance) P-C4' energy: -114.852
flat angles C4'-P-C4' energy: -128.857
flat angles P-C4'-P energy: -66.265
tors. eta vs tors. theta energy: -165.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1813.131627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.131627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.131627 (E_RNA)
where:
Base-Base interactions energy: -1240.809
where: short stacking energy: -544.994
Base-Backbone interact. energy: -0.397
local terms energy: -571.925219
where:
bonds (distance) C4'-P energy: -111.747
bonds (distance) P-C4' energy: -95.929
flat angles C4'-P-C4' energy: -132.841
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -156.359
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: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1641.749797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.749797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.749797 (E_RNA)
where:
Base-Base interactions energy: -1127.405
where: short stacking energy: -486.981
Base-Backbone interact. energy: -2.506
local terms energy: -511.839122
where:
bonds (distance) C4'-P energy: -106.969
bonds (distance) P-C4' energy: -96.816
flat angles C4'-P-C4' energy: -121.654
flat angles P-C4'-P energy: -69.152
tors. eta vs tors. theta energy: -117.248
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: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1456.245702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.245702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.245702 (E_RNA)
where:
Base-Base interactions energy: -961.512
where: short stacking energy: -418.905
Base-Backbone interact. energy: 0.799
local terms energy: -495.532000
where:
bonds (distance) C4'-P energy: -99.509
bonds (distance) P-C4' energy: -116.145
flat angles C4'-P-C4' energy: -117.147
flat angles P-C4'-P energy: -74.131
tors. eta vs tors. theta energy: -88.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -961.546480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.546480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.546480 (E_RNA)
where:
Base-Base interactions energy: -527.501
where: short stacking energy: -302.746
Base-Backbone interact. energy: -1.426
local terms energy: -432.620052
where:
bonds (distance) C4'-P energy: -111.229
bonds (distance) P-C4' energy: -113.638
flat angles C4'-P-C4' energy: -100.476
flat angles P-C4'-P energy: -62.663
tors. eta vs tors. theta energy: -44.614
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: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -634.311577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.311577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.311577 (E_RNA)
where:
Base-Base interactions energy: -268.698
where: short stacking energy: -175.835
Base-Backbone interact. energy: 0.925
local terms energy: -366.538517
where:
bonds (distance) C4'-P energy: -117.765
bonds (distance) P-C4' energy: -122.058
flat angles C4'-P-C4' energy: -68.946
flat angles P-C4'-P energy: -52.884
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2371.084045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.084045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.084045 (E_RNA)
where:
Base-Base interactions energy: -1694.626
where: short stacking energy: -672.785
Base-Backbone interact. energy: -2.297
local terms energy: -674.161024
where:
bonds (distance) C4'-P energy: -120.597
bonds (distance) P-C4' energy: -127.300
flat angles C4'-P-C4' energy: -151.653
flat angles P-C4'-P energy: -97.773
tors. eta vs tors. theta energy: -176.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2288.907138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.907138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.907138 (E_RNA)
where:
Base-Base interactions energy: -1607.953
where: short stacking energy: -643.624
Base-Backbone interact. energy: 0.633
local terms energy: -681.587205
where:
bonds (distance) C4'-P energy: -136.769
bonds (distance) P-C4' energy: -116.821
flat angles C4'-P-C4' energy: -155.472
flat angles P-C4'-P energy: -93.772
tors. eta vs tors. theta energy: -178.753
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: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2173.504128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.504128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.504128 (E_RNA)
where:
Base-Base interactions energy: -1532.583
where: short stacking energy: -635.853
Base-Backbone interact. energy: -4.358
local terms energy: -636.563063
where:
bonds (distance) C4'-P energy: -116.042
bonds (distance) P-C4' energy: -108.301
flat angles C4'-P-C4' energy: -145.962
flat angles P-C4'-P energy: -95.829
tors. eta vs tors. theta energy: -170.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2074.260977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.260977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.260977 (E_RNA)
where:
Base-Base interactions energy: -1434.591
where: short stacking energy: -625.550
Base-Backbone interact. energy: -2.001
local terms energy: -637.669291
where:
bonds (distance) C4'-P energy: -108.715
bonds (distance) P-C4' energy: -123.898
flat angles C4'-P-C4' energy: -134.981
flat angles P-C4'-P energy: -90.753
tors. eta vs tors. theta energy: -179.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1870.996307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.996307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.996307 (E_RNA)
where:
Base-Base interactions energy: -1256.083
where: short stacking energy: -543.172
Base-Backbone interact. energy: -1.735
local terms energy: -613.178990
where:
bonds (distance) C4'-P energy: -112.336
bonds (distance) P-C4' energy: -126.536
flat angles C4'-P-C4' energy: -122.510
flat angles P-C4'-P energy: -82.675
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: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1807.195468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.195468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.195468 (E_RNA)
where:
Base-Base interactions energy: -1220.468
where: short stacking energy: -541.056
Base-Backbone interact. energy: -2.396
local terms energy: -584.330721
where:
bonds (distance) C4'-P energy: -97.162
bonds (distance) P-C4' energy: -112.302
flat angles C4'-P-C4' energy: -137.185
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -149.764
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: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1620.018846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.018846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.018846 (E_RNA)
where:
Base-Base interactions energy: -1076.411
where: short stacking energy: -462.422
Base-Backbone interact. energy: 0.587
local terms energy: -544.195450
where:
bonds (distance) C4'-P energy: -102.337
bonds (distance) P-C4' energy: -123.076
flat angles C4'-P-C4' energy: -118.646
flat angles P-C4'-P energy: -74.202
tors. eta vs tors. theta energy: -125.934
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: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1457.145011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.145011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.145011 (E_RNA)
where:
Base-Base interactions energy: -968.141
where: short stacking energy: -436.057
Base-Backbone interact. energy: 0.342
local terms energy: -489.346936
where:
bonds (distance) C4'-P energy: -91.536
bonds (distance) P-C4' energy: -110.978
flat angles C4'-P-C4' energy: -126.528
flat angles P-C4'-P energy: -60.988
tors. eta vs tors. theta energy: -99.317
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: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -906.257988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.257988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.257988 (E_RNA)
where:
Base-Base interactions energy: -494.107
where: short stacking energy: -254.500
Base-Backbone interact. energy: 4.531
local terms energy: -416.682126
where:
bonds (distance) C4'-P energy: -104.319
bonds (distance) P-C4' energy: -110.301
flat angles C4'-P-C4' energy: -112.244
flat angles P-C4'-P energy: -59.257
tors. eta vs tors. theta energy: -30.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -610.047482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.047482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.047482 (E_RNA)
where:
Base-Base interactions energy: -292.477
where: short stacking energy: -201.040
Base-Backbone interact. energy: 5.101
local terms energy: -322.671632
where:
bonds (distance) C4'-P energy: -92.148
bonds (distance) P-C4' energy: -108.225
flat angles C4'-P-C4' energy: -70.013
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: 13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2388.883834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.883834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.883834 (E_RNA)
where:
Base-Base interactions energy: -1688.925
where: short stacking energy: -668.317
Base-Backbone interact. energy: -1.782
local terms energy: -698.176774
where:
bonds (distance) C4'-P energy: -138.888
bonds (distance) P-C4' energy: -131.318
flat angles C4'-P-C4' energy: -143.740
flat angles P-C4'-P energy: -97.969
tors. eta vs tors. theta energy: -186.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2278.726813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.726813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.726813 (E_RNA)
where:
Base-Base interactions energy: -1619.334
where: short stacking energy: -658.579
Base-Backbone interact. energy: 1.097
local terms energy: -660.489716
where:
bonds (distance) C4'-P energy: -121.404
bonds (distance) P-C4' energy: -121.427
flat angles C4'-P-C4' energy: -147.147
flat angles P-C4'-P energy: -91.085
tors. eta vs tors. theta energy: -179.427
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: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2207.647279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.647279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.647279 (E_RNA)
where:
Base-Base interactions energy: -1536.778
where: short stacking energy: -649.479
Base-Backbone interact. energy: -2.636
local terms energy: -668.233185
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -130.457
flat angles C4'-P-C4' energy: -142.667
flat angles P-C4'-P energy: -98.932
tors. eta vs tors. theta energy: -185.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2078.946408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.946408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.946408 (E_RNA)
where:
Base-Base interactions energy: -1436.510
where: short stacking energy: -607.872
Base-Backbone interact. energy: -1.975
local terms energy: -640.461422
where:
bonds (distance) C4'-P energy: -123.305
bonds (distance) P-C4' energy: -111.899
flat angles C4'-P-C4' energy: -132.583
flat angles P-C4'-P energy: -94.643
tors. eta vs tors. theta energy: -178.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1868.493479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.493479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.493479 (E_RNA)
where:
Base-Base interactions energy: -1285.140
where: short stacking energy: -558.681
Base-Backbone interact. energy: 0.703
local terms energy: -584.056302
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -122.500
flat angles C4'-P-C4' energy: -128.295
flat angles P-C4'-P energy: -74.389
tors. eta vs tors. theta energy: -158.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1796.972954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.972954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.972954 (E_RNA)
where:
Base-Base interactions energy: -1230.303
where: short stacking energy: -517.824
Base-Backbone interact. energy: -0.219
local terms energy: -566.450859
where:
bonds (distance) C4'-P energy: -103.965
bonds (distance) P-C4' energy: -118.990
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -82.652
tors. eta vs tors. theta energy: -143.949
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1678.463664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.463664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.463664 (E_RNA)
where:
Base-Base interactions energy: -1112.098
where: short stacking energy: -496.595
Base-Backbone interact. energy: -0.074
local terms energy: -566.291853
where:
bonds (distance) C4'-P energy: -122.593
bonds (distance) P-C4' energy: -112.010
flat angles C4'-P-C4' energy: -128.698
flat angles P-C4'-P energy: -70.645
tors. eta vs tors. theta energy: -132.346
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: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1456.631801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.631801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.631801 (E_RNA)
where:
Base-Base interactions energy: -932.078
where: short stacking energy: -420.159
Base-Backbone interact. energy: 0.966
local terms energy: -525.519443
where:
bonds (distance) C4'-P energy: -119.349
bonds (distance) P-C4' energy: -121.311
flat angles C4'-P-C4' energy: -111.390
flat angles P-C4'-P energy: -79.322
tors. eta vs tors. theta energy: -94.147
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: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -898.355231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.355231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.355231 (E_RNA)
where:
Base-Base interactions energy: -497.152
where: short stacking energy: -271.179
Base-Backbone interact. energy: -1.542
local terms energy: -399.660638
where:
bonds (distance) C4'-P energy: -91.159
bonds (distance) P-C4' energy: -112.173
flat angles C4'-P-C4' energy: -111.257
flat angles P-C4'-P energy: -65.409
tors. eta vs tors. theta energy: -19.661
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: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -607.876346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.876346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.876346 (E_RNA)
where:
Base-Base interactions energy: -236.857
where: short stacking energy: -165.564
Base-Backbone interact. energy: 2.434
local terms energy: -373.452551
where:
bonds (distance) C4'-P energy: -113.765
bonds (distance) P-C4' energy: -122.269
flat angles C4'-P-C4' energy: -97.472
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: 10.332
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: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2388.861982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.861982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.861982 (E_RNA)
where:
Base-Base interactions energy: -1686.111
where: short stacking energy: -666.524
Base-Backbone interact. energy: -0.751
local terms energy: -701.999875
where:
bonds (distance) C4'-P energy: -122.818
bonds (distance) P-C4' energy: -130.211
flat angles C4'-P-C4' energy: -154.470
flat angles P-C4'-P energy: -102.843
tors. eta vs tors. theta energy: -191.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2276.595456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.595456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.595456 (E_RNA)
where:
Base-Base interactions energy: -1587.628
where: short stacking energy: -634.356
Base-Backbone interact. energy: -1.655
local terms energy: -687.312175
where:
bonds (distance) C4'-P energy: -134.739
bonds (distance) P-C4' energy: -129.352
flat angles C4'-P-C4' energy: -141.402
flat angles P-C4'-P energy: -100.094
tors. eta vs tors. theta energy: -181.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2194.259605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.259605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.259605 (E_RNA)
where:
Base-Base interactions energy: -1555.658
where: short stacking energy: -632.662
Base-Backbone interact. energy: 6.988
local terms energy: -645.589023
where:
bonds (distance) C4'-P energy: -113.419
bonds (distance) P-C4' energy: -107.163
flat angles C4'-P-C4' energy: -138.825
flat angles P-C4'-P energy: -101.548
tors. eta vs tors. theta energy: -184.633
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: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2070.692569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.692569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.692569 (E_RNA)
where:
Base-Base interactions energy: -1414.327
where: short stacking energy: -648.455
Base-Backbone interact. energy: -3.883
local terms energy: -652.483145
where:
bonds (distance) C4'-P energy: -118.025
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -138.150
flat angles P-C4'-P energy: -86.701
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: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1853.908134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.908134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.908134 (E_RNA)
where:
Base-Base interactions energy: -1240.416
where: short stacking energy: -538.748
Base-Backbone interact. energy: -2.715
local terms energy: -610.778010
where:
bonds (distance) C4'-P energy: -118.853
bonds (distance) P-C4' energy: -110.804
flat angles C4'-P-C4' energy: -141.943
flat angles P-C4'-P energy: -81.078
tors. eta vs tors. theta energy: -158.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1808.560907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.560907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.560907 (E_RNA)
where:
Base-Base interactions energy: -1225.281
where: short stacking energy: -548.340
Base-Backbone interact. energy: -2.042
local terms energy: -581.237114
where:
bonds (distance) C4'-P energy: -107.877
bonds (distance) P-C4' energy: -115.884
flat angles C4'-P-C4' energy: -126.735
flat angles P-C4'-P energy: -76.892
tors. eta vs tors. theta energy: -153.849
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: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1663.943457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.943457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.943457 (E_RNA)
where:
Base-Base interactions energy: -1128.088
where: short stacking energy: -468.940
Base-Backbone interact. energy: -3.982
local terms energy: -531.873583
where:
bonds (distance) C4'-P energy: -121.428
bonds (distance) P-C4' energy: -107.020
flat angles C4'-P-C4' energy: -117.408
flat angles P-C4'-P energy: -79.129
tors. eta vs tors. theta energy: -106.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1383.588236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.588236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.588236 (E_RNA)
where:
Base-Base interactions energy: -915.836
where: short stacking energy: -389.118
Base-Backbone interact. energy: 1.650
local terms energy: -469.401438
where:
bonds (distance) C4'-P energy: -107.912
bonds (distance) P-C4' energy: -97.663
flat angles C4'-P-C4' energy: -111.601
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -97.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -804.628048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.628048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.628048 (E_RNA)
where:
Base-Base interactions energy: -438.250
where: short stacking energy: -240.270
Base-Backbone interact. energy: -1.001
local terms energy: -365.376869
where:
bonds (distance) C4'-P energy: -109.904
bonds (distance) P-C4' energy: -94.830
flat angles C4'-P-C4' energy: -107.686
flat angles P-C4'-P energy: -54.166
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -581.488488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.488488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.488488 (E_RNA)
where:
Base-Base interactions energy: -263.645
where: short stacking energy: -181.743
Base-Backbone interact. energy: 1.275
local terms energy: -319.118165
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -91.658
flat angles P-C4'-P energy: -59.718
tors. eta vs tors. theta energy: 5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2366.433511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.433511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.433511 (E_RNA)
where:
Base-Base interactions energy: -1671.047
where: short stacking energy: -684.881
Base-Backbone interact. energy: -0.952
local terms energy: -694.434844
where:
bonds (distance) C4'-P energy: -126.624
bonds (distance) P-C4' energy: -133.614
flat angles C4'-P-C4' energy: -148.663
flat angles P-C4'-P energy: -100.690
tors. eta vs tors. theta energy: -184.844
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: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2230.752741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.752741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.752741 (E_RNA)
where:
Base-Base interactions energy: -1589.355
where: short stacking energy: -608.090
Base-Backbone interact. energy: 1.554
local terms energy: -642.951294
where:
bonds (distance) C4'-P energy: -118.870
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -147.372
flat angles P-C4'-P energy: -98.918
tors. eta vs tors. theta energy: -160.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2180.344224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.344224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.344224 (E_RNA)
where:
Base-Base interactions energy: -1502.481
where: short stacking energy: -629.709
Base-Backbone interact. energy: 6.188
local terms energy: -684.051010
where:
bonds (distance) C4'-P energy: -122.192
bonds (distance) P-C4' energy: -133.902
flat angles C4'-P-C4' energy: -136.879
flat angles P-C4'-P energy: -101.612
tors. eta vs tors. theta energy: -189.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2051.762975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.762975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.762975 (E_RNA)
where:
Base-Base interactions energy: -1425.407
where: short stacking energy: -612.861
Base-Backbone interact. energy: -1.210
local terms energy: -625.145947
where:
bonds (distance) C4'-P energy: -116.625
bonds (distance) P-C4' energy: -120.078
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -85.609
tors. eta vs tors. theta energy: -175.549
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1908.332223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.332223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.332223 (E_RNA)
where:
Base-Base interactions energy: -1281.901
where: short stacking energy: -561.269
Base-Backbone interact. energy: -1.791
local terms energy: -624.640379
where:
bonds (distance) C4'-P energy: -121.040
bonds (distance) P-C4' energy: -107.747
flat angles C4'-P-C4' energy: -145.975
flat angles P-C4'-P energy: -96.099
tors. eta vs tors. theta energy: -153.780
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: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1722.415409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.415409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.415409 (E_RNA)
where:
Base-Base interactions energy: -1147.819
where: short stacking energy: -510.131
Base-Backbone interact. energy: -1.013
local terms energy: -573.583701
where:
bonds (distance) C4'-P energy: -113.824
bonds (distance) P-C4' energy: -113.165
flat angles C4'-P-C4' energy: -121.297
flat angles P-C4'-P energy: -80.106
tors. eta vs tors. theta energy: -145.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1669.140757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.140757 (E_RNA)
where:
Base-Base interactions energy: -1147.269
where: short stacking energy: -502.969
Base-Backbone interact. energy: 0.119
local terms energy: -521.990078
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -122.216
flat angles C4'-P-C4' energy: -101.834
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -132.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1370.143212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.143212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.143212 (E_RNA)
where:
Base-Base interactions energy: -860.136
where: short stacking energy: -383.027
Base-Backbone interact. energy: 0.031
local terms energy: -510.037881
where:
bonds (distance) C4'-P energy: -104.421
bonds (distance) P-C4' energy: -109.544
flat angles C4'-P-C4' energy: -123.936
flat angles P-C4'-P energy: -91.472
tors. eta vs tors. theta energy: -80.665
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: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -915.093715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.093715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.093715 (E_RNA)
where:
Base-Base interactions energy: -481.425
where: short stacking energy: -252.125
Base-Backbone interact. energy: 3.317
local terms energy: -436.986433
where:
bonds (distance) C4'-P energy: -105.430
bonds (distance) P-C4' energy: -127.015
flat angles C4'-P-C4' energy: -94.543
flat angles P-C4'-P energy: -75.878
tors. eta vs tors. theta energy: -34.120
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: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -585.741437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.741437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.741437 (E_RNA)
where:
Base-Base interactions energy: -283.451
where: short stacking energy: -175.372
Base-Backbone interact. energy: 3.495
local terms energy: -305.785271
where:
bonds (distance) C4'-P energy: -97.099
bonds (distance) P-C4' energy: -101.330
flat angles C4'-P-C4' energy: -109.617
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: 23.018
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: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2378.875164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.875164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.875164 (E_RNA)
where:
Base-Base interactions energy: -1681.600
where: short stacking energy: -667.324
Base-Backbone interact. energy: -3.227
local terms energy: -694.048566
where:
bonds (distance) C4'-P energy: -117.292
bonds (distance) P-C4' energy: -137.241
flat angles C4'-P-C4' energy: -141.918
flat angles P-C4'-P energy: -104.783
tors. eta vs tors. theta energy: -192.816
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: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2282.889756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.889756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.889756 (E_RNA)
where:
Base-Base interactions energy: -1609.604
where: short stacking energy: -629.409
Base-Backbone interact. energy: -4.255
local terms energy: -669.030922
where:
bonds (distance) C4'-P energy: -127.648
bonds (distance) P-C4' energy: -124.351
flat angles C4'-P-C4' energy: -140.845
flat angles P-C4'-P energy: -105.861
tors. eta vs tors. theta energy: -170.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2187.796735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.796735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.796735 (E_RNA)
where:
Base-Base interactions energy: -1510.224
where: short stacking energy: -634.486
Base-Backbone interact. energy: -1.674
local terms energy: -675.899155
where:
bonds (distance) C4'-P energy: -132.693
bonds (distance) P-C4' energy: -120.650
flat angles C4'-P-C4' energy: -141.016
flat angles P-C4'-P energy: -89.366
tors. eta vs tors. theta energy: -192.174
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: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2036.042794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.042794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.042794 (E_RNA)
where:
Base-Base interactions energy: -1402.005
where: short stacking energy: -606.841
Base-Backbone interact. energy: -1.356
local terms energy: -632.681065
where:
bonds (distance) C4'-P energy: -109.019
bonds (distance) P-C4' energy: -126.689
flat angles C4'-P-C4' energy: -152.655
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -167.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1945.916004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.916004 (E_RNA)
where:
Base-Base interactions energy: -1310.120
where: short stacking energy: -570.854
Base-Backbone interact. energy: -1.472
local terms energy: -634.324233
where:
bonds (distance) C4'-P energy: -119.412
bonds (distance) P-C4' energy: -123.095
flat angles C4'-P-C4' energy: -129.987
flat angles P-C4'-P energy: -96.087
tors. eta vs tors. theta energy: -165.742
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: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1777.914614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.914614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.914614 (E_RNA)
where:
Base-Base interactions energy: -1220.974
where: short stacking energy: -511.373
Base-Backbone interact. energy: -1.291
local terms energy: -555.650481
where:
bonds (distance) C4'-P energy: -101.139
bonds (distance) P-C4' energy: -105.336
flat angles C4'-P-C4' energy: -130.056
flat angles P-C4'-P energy: -88.005
tors. eta vs tors. theta energy: -131.114
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1768.617852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.617852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.617852 (E_RNA)
where:
Base-Base interactions energy: -1203.660
where: short stacking energy: -524.437
Base-Backbone interact. energy: -0.182
local terms energy: -564.776365
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -95.599
flat angles C4'-P-C4' energy: -130.153
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -136.434
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: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1386.709251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.709251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.709251 (E_RNA)
where:
Base-Base interactions energy: -883.313
where: short stacking energy: -410.116
Base-Backbone interact. energy: -1.580
local terms energy: -501.815964
where:
bonds (distance) C4'-P energy: -96.573
bonds (distance) P-C4' energy: -131.336
flat angles C4'-P-C4' energy: -115.222
flat angles P-C4'-P energy: -60.754
tors. eta vs tors. theta energy: -97.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -926.260921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.260921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.260921 (E_RNA)
where:
Base-Base interactions energy: -522.081
where: short stacking energy: -304.637
Base-Backbone interact. energy: -2.447
local terms energy: -401.733258
where:
bonds (distance) C4'-P energy: -111.801
bonds (distance) P-C4' energy: -106.527
flat angles C4'-P-C4' energy: -88.443
flat angles P-C4'-P energy: -51.734
tors. eta vs tors. theta energy: -43.228
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -609.868329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.868329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.868329 (E_RNA)
where:
Base-Base interactions energy: -250.811
where: short stacking energy: -167.040
Base-Backbone interact. energy: 2.624
local terms energy: -361.681096
where:
bonds (distance) C4'-P energy: -99.017
bonds (distance) P-C4' energy: -108.118
flat angles C4'-P-C4' energy: -90.205
flat angles P-C4'-P energy: -52.281
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2370.271749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.271749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.271749 (E_RNA)
where:
Base-Base interactions energy: -1682.829
where: short stacking energy: -680.217
Base-Backbone interact. energy: -0.682
local terms energy: -686.760928
where:
bonds (distance) C4'-P energy: -123.141
bonds (distance) P-C4' energy: -132.847
flat angles C4'-P-C4' energy: -149.612
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -175.403
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: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2280.382497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.382497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.382497 (E_RNA)
where:
Base-Base interactions energy: -1630.909
where: short stacking energy: -654.918
Base-Backbone interact. energy: -2.118
local terms energy: -647.355175
where:
bonds (distance) C4'-P energy: -124.337
bonds (distance) P-C4' energy: -102.570
flat angles C4'-P-C4' energy: -156.707
flat angles P-C4'-P energy: -91.461
tors. eta vs tors. theta energy: -172.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2198.733736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.733736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.733736 (E_RNA)
where:
Base-Base interactions energy: -1531.107
where: short stacking energy: -634.860
Base-Backbone interact. energy: -1.178
local terms energy: -666.449387
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -121.576
flat angles C4'-P-C4' energy: -151.112
flat angles P-C4'-P energy: -89.660
tors. eta vs tors. theta energy: -187.651
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: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1980.049130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.049130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.049130 (E_RNA)
where:
Base-Base interactions energy: -1329.229
where: short stacking energy: -592.512
Base-Backbone interact. energy: -3.555
local terms energy: -647.264745
where:
bonds (distance) C4'-P energy: -119.072
bonds (distance) P-C4' energy: -117.076
flat angles C4'-P-C4' energy: -147.030
flat angles P-C4'-P energy: -96.001
tors. eta vs tors. theta energy: -168.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1938.873989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.873989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.873989 (E_RNA)
where:
Base-Base interactions energy: -1343.010
where: short stacking energy: -572.467
Base-Backbone interact. energy: -1.351
local terms energy: -594.513051
where:
bonds (distance) C4'-P energy: -95.019
bonds (distance) P-C4' energy: -134.039
flat angles C4'-P-C4' energy: -140.040
flat angles P-C4'-P energy: -76.153
tors. eta vs tors. theta energy: -149.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1742.000977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.000977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.000977 (E_RNA)
where:
Base-Base interactions energy: -1186.592
where: short stacking energy: -503.070
Base-Backbone interact. energy: 0.173
local terms energy: -555.582701
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -113.736
flat angles C4'-P-C4' energy: -109.763
flat angles P-C4'-P energy: -93.261
tors. eta vs tors. theta energy: -139.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1738.881835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.881835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.881835 (E_RNA)
where:
Base-Base interactions energy: -1189.453
where: short stacking energy: -511.995
Base-Backbone interact. energy: -2.655
local terms energy: -546.774581
where:
bonds (distance) C4'-P energy: -100.246
bonds (distance) P-C4' energy: -109.914
flat angles C4'-P-C4' energy: -124.731
flat angles P-C4'-P energy: -78.034
tors. eta vs tors. theta energy: -133.849
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: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1399.515449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.515449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.515449 (E_RNA)
where:
Base-Base interactions energy: -911.472
where: short stacking energy: -415.330
Base-Backbone interact. energy: -3.596
local terms energy: -484.447488
where:
bonds (distance) C4'-P energy: -94.850
bonds (distance) P-C4' energy: -98.350
flat angles C4'-P-C4' energy: -122.002
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -96.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -878.319118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.319118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.319118 (E_RNA)
where:
Base-Base interactions energy: -488.625
where: short stacking energy: -276.615
Base-Backbone interact. energy: 0.220
local terms energy: -389.914150
where:
bonds (distance) C4'-P energy: -107.459
bonds (distance) P-C4' energy: -89.973
flat angles C4'-P-C4' energy: -105.308
flat angles P-C4'-P energy: -55.941
tors. eta vs tors. theta energy: -31.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -645.778123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.778123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.778123 (E_RNA)
where:
Base-Base interactions energy: -274.902
where: short stacking energy: -178.337
Base-Backbone interact. energy: 8.253
local terms energy: -379.129609
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -112.601
flat angles C4'-P-C4' energy: -109.545
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2372.682307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.682307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.682307 (E_RNA)
where:
Base-Base interactions energy: -1687.532
where: short stacking energy: -657.958
Base-Backbone interact. energy: 0.681
local terms energy: -685.831106
where:
bonds (distance) C4'-P energy: -132.498
bonds (distance) P-C4' energy: -139.279
flat angles C4'-P-C4' energy: -129.728
flat angles P-C4'-P energy: -104.769
tors. eta vs tors. theta energy: -179.556
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: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2256.008799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.008799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.008799 (E_RNA)
where:
Base-Base interactions energy: -1604.864
where: short stacking energy: -639.355
Base-Backbone interact. energy: -3.439
local terms energy: -647.705589
where:
bonds (distance) C4'-P energy: -133.561
bonds (distance) P-C4' energy: -120.408
flat angles C4'-P-C4' energy: -142.723
flat angles P-C4'-P energy: -79.389
tors. eta vs tors. theta energy: -171.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2185.076305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.076305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.076305 (E_RNA)
where:
Base-Base interactions energy: -1531.406
where: short stacking energy: -629.008
Base-Backbone interact. energy: -3.304
local terms energy: -650.365888
where:
bonds (distance) C4'-P energy: -119.457
bonds (distance) P-C4' energy: -132.840
flat angles C4'-P-C4' energy: -132.981
flat angles P-C4'-P energy: -86.323
tors. eta vs tors. theta energy: -178.765
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: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1985.729617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.729617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.729617 (E_RNA)
where:
Base-Base interactions energy: -1340.348
where: short stacking energy: -598.775
Base-Backbone interact. energy: -2.449
local terms energy: -642.932981
where:
bonds (distance) C4'-P energy: -116.939
bonds (distance) P-C4' energy: -120.806
flat angles C4'-P-C4' energy: -141.182
flat angles P-C4'-P energy: -88.593
tors. eta vs tors. theta energy: -175.413
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: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2015.376301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.376301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.376301 (E_RNA)
where:
Base-Base interactions energy: -1362.624
where: short stacking energy: -582.592
Base-Backbone interact. energy: -1.696
local terms energy: -651.056524
where:
bonds (distance) C4'-P energy: -123.665
bonds (distance) P-C4' energy: -130.411
flat angles C4'-P-C4' energy: -129.912
flat angles P-C4'-P energy: -82.234
tors. eta vs tors. theta energy: -184.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1752.617613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.617613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.617613 (E_RNA)
where:
Base-Base interactions energy: -1187.773
where: short stacking energy: -526.215
Base-Backbone interact. energy: -1.392
local terms energy: -563.452190
where:
bonds (distance) C4'-P energy: -111.174
bonds (distance) P-C4' energy: -104.650
flat angles C4'-P-C4' energy: -127.251
flat angles P-C4'-P energy: -88.886
tors. eta vs tors. theta energy: -131.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1735.968483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.968483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.968483 (E_RNA)
where:
Base-Base interactions energy: -1202.711
where: short stacking energy: -509.735
Base-Backbone interact. energy: -2.039
local terms energy: -531.217886
where:
bonds (distance) C4'-P energy: -110.694
bonds (distance) P-C4' energy: -99.750
flat angles C4'-P-C4' energy: -123.955
flat angles P-C4'-P energy: -72.564
tors. eta vs tors. theta energy: -124.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1417.981024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.981024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.981024 (E_RNA)
where:
Base-Base interactions energy: -924.300
where: short stacking energy: -409.371
Base-Backbone interact. energy: -0.596
local terms energy: -493.085593
where:
bonds (distance) C4'-P energy: -119.765
bonds (distance) P-C4' energy: -100.209
flat angles C4'-P-C4' energy: -123.327
flat angles P-C4'-P energy: -72.287
tors. eta vs tors. theta energy: -77.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -952.832160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.832160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.832160 (E_RNA)
where:
Base-Base interactions energy: -563.819
where: short stacking energy: -271.821
Base-Backbone interact. energy: -1.812
local terms energy: -387.201376
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -110.429
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: -24.398
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: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -604.250150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.250150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.250150 (E_RNA)
where:
Base-Base interactions energy: -255.498
where: short stacking energy: -166.393
Base-Backbone interact. energy: -0.091
local terms energy: -348.660937
where:
bonds (distance) C4'-P energy: -97.109
bonds (distance) P-C4' energy: -89.561
flat angles C4'-P-C4' energy: -98.916
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2386.113892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.113892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.113892 (E_RNA)
where:
Base-Base interactions energy: -1691.288
where: short stacking energy: -672.177
Base-Backbone interact. energy: 0.708
local terms energy: -695.533607
where:
bonds (distance) C4'-P energy: -133.637
bonds (distance) P-C4' energy: -129.812
flat angles C4'-P-C4' energy: -146.018
flat angles P-C4'-P energy: -108.981
tors. eta vs tors. theta energy: -177.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2244.293116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.293116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.293116 (E_RNA)
where:
Base-Base interactions energy: -1540.958
where: short stacking energy: -617.483
Base-Backbone interact. energy: -2.605
local terms energy: -700.729948
where:
bonds (distance) C4'-P energy: -136.555
bonds (distance) P-C4' energy: -134.370
flat angles C4'-P-C4' energy: -154.609
flat angles P-C4'-P energy: -108.240
tors. eta vs tors. theta energy: -166.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2165.265364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.265364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.265364 (E_RNA)
where:
Base-Base interactions energy: -1516.669
where: short stacking energy: -629.701
Base-Backbone interact. energy: 0.083
local terms energy: -648.680133
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -116.990
flat angles C4'-P-C4' energy: -143.436
flat angles P-C4'-P energy: -89.651
tors. eta vs tors. theta energy: -184.235
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: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2071.175495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.175495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.175495 (E_RNA)
where:
Base-Base interactions energy: -1418.814
where: short stacking energy: -631.547
Base-Backbone interact. energy: 3.544
local terms energy: -655.905216
where:
bonds (distance) C4'-P energy: -118.409
bonds (distance) P-C4' energy: -117.882
flat angles C4'-P-C4' energy: -136.132
flat angles P-C4'-P energy: -97.630
tors. eta vs tors. theta energy: -185.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1901.441885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.441885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.441885 (E_RNA)
where:
Base-Base interactions energy: -1270.401
where: short stacking energy: -563.459
Base-Backbone interact. energy: -4.466
local terms energy: -626.575207
where:
bonds (distance) C4'-P energy: -104.313
bonds (distance) P-C4' energy: -122.356
flat angles C4'-P-C4' energy: -135.403
flat angles P-C4'-P energy: -92.385
tors. eta vs tors. theta energy: -172.118
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: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1748.727613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.727613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.727613 (E_RNA)
where:
Base-Base interactions energy: -1196.748
where: short stacking energy: -521.164
Base-Backbone interact. energy: 0.183
local terms energy: -552.162397
where:
bonds (distance) C4'-P energy: -111.934
bonds (distance) P-C4' energy: -106.623
flat angles C4'-P-C4' energy: -124.820
flat angles P-C4'-P energy: -73.600
tors. eta vs tors. theta energy: -135.186
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: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1701.185761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.185761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.185761 (E_RNA)
where:
Base-Base interactions energy: -1145.456
where: short stacking energy: -510.568
Base-Backbone interact. energy: 0.509
local terms energy: -556.239024
where:
bonds (distance) C4'-P energy: -97.681
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -120.334
flat angles P-C4'-P energy: -82.060
tors. eta vs tors. theta energy: -140.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1364.461763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.461763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.461763 (E_RNA)
where:
Base-Base interactions energy: -864.985
where: short stacking energy: -379.825
Base-Backbone interact. energy: -0.098
local terms energy: -499.378074
where:
bonds (distance) C4'-P energy: -118.086
bonds (distance) P-C4' energy: -119.713
flat angles C4'-P-C4' energy: -118.254
flat angles P-C4'-P energy: -63.995
tors. eta vs tors. theta energy: -79.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -957.405070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.405070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.405070 (E_RNA)
where:
Base-Base interactions energy: -527.239
where: short stacking energy: -255.109
Base-Backbone interact. energy: -2.383
local terms energy: -427.783003
where:
bonds (distance) C4'-P energy: -110.544
bonds (distance) P-C4' energy: -118.072
flat angles C4'-P-C4' energy: -103.328
flat angles P-C4'-P energy: -65.586
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -595.808524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.808524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.808524 (E_RNA)
where:
Base-Base interactions energy: -261.271
where: short stacking energy: -173.691
Base-Backbone interact. energy: -0.155
local terms energy: -334.382809
where:
bonds (distance) C4'-P energy: -102.281
bonds (distance) P-C4' energy: -116.690
flat angles C4'-P-C4' energy: -91.379
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: 15.829
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: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2389.456618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.456618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.456618 (E_RNA)
where:
Base-Base interactions energy: -1684.468
where: short stacking energy: -674.783
Base-Backbone interact. energy: -3.300
local terms energy: -701.688560
where:
bonds (distance) C4'-P energy: -122.908
bonds (distance) P-C4' energy: -136.049
flat angles C4'-P-C4' energy: -149.861
flat angles P-C4'-P energy: -103.433
tors. eta vs tors. theta energy: -189.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2272.529720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.529720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.529720 (E_RNA)
where:
Base-Base interactions energy: -1587.533
where: short stacking energy: -622.516
Base-Backbone interact. energy: -2.530
local terms energy: -682.466161
where:
bonds (distance) C4'-P energy: -125.129
bonds (distance) P-C4' energy: -125.474
flat angles C4'-P-C4' energy: -137.577
flat angles P-C4'-P energy: -113.141
tors. eta vs tors. theta energy: -181.145
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: 394
Temperature: 1.000000
Total energy: -2216.524705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.524705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.524705 (E_RNA)
where:
Base-Base interactions energy: -1525.058
where: short stacking energy: -636.379
Base-Backbone interact. energy: -1.599
local terms energy: -689.867779
where:
bonds (distance) C4'-P energy: -129.650
bonds (distance) P-C4' energy: -135.989
flat angles C4'-P-C4' energy: -140.488
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -193.331
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: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2062.196915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.196915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.196915 (E_RNA)
where:
Base-Base interactions energy: -1420.785
where: short stacking energy: -617.207
Base-Backbone interact. energy: -2.946
local terms energy: -638.465237
where:
bonds (distance) C4'-P energy: -118.621
bonds (distance) P-C4' energy: -124.650
flat angles C4'-P-C4' energy: -138.356
flat angles P-C4'-P energy: -79.782
tors. eta vs tors. theta energy: -177.056
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: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1890.988127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.988127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.988127 (E_RNA)
where:
Base-Base interactions energy: -1281.053
where: short stacking energy: -570.844
Base-Backbone interact. energy: -2.637
local terms energy: -607.298607
where:
bonds (distance) C4'-P energy: -104.759
bonds (distance) P-C4' energy: -116.612
flat angles C4'-P-C4' energy: -123.934
flat angles P-C4'-P energy: -94.880
tors. eta vs tors. theta energy: -167.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1746.595959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.595959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.595959 (E_RNA)
where:
Base-Base interactions energy: -1179.315
where: short stacking energy: -516.778
Base-Backbone interact. energy: -0.258
local terms energy: -567.023280
where:
bonds (distance) C4'-P energy: -122.274
bonds (distance) P-C4' energy: -94.519
flat angles C4'-P-C4' energy: -138.652
flat angles P-C4'-P energy: -79.730
tors. eta vs tors. theta energy: -131.849
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: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1644.814915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.814915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.814915 (E_RNA)
where:
Base-Base interactions energy: -1132.663
where: short stacking energy: -486.890
Base-Backbone interact. energy: 2.138
local terms energy: -514.289784
where:
bonds (distance) C4'-P energy: -100.863
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -103.786
flat angles P-C4'-P energy: -70.275
tors. eta vs tors. theta energy: -122.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1366.120040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.120040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.120040 (E_RNA)
where:
Base-Base interactions energy: -904.852
where: short stacking energy: -399.882
Base-Backbone interact. energy: 0.409
local terms energy: -461.677075
where:
bonds (distance) C4'-P energy: -81.868
bonds (distance) P-C4' energy: -102.323
flat angles C4'-P-C4' energy: -110.471
flat angles P-C4'-P energy: -60.554
tors. eta vs tors. theta energy: -106.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -956.360737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.360737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.360737 (E_RNA)
where:
Base-Base interactions energy: -536.145
where: short stacking energy: -271.278
Base-Backbone interact. energy: -0.399
local terms energy: -419.817304
where:
bonds (distance) C4'-P energy: -111.386
bonds (distance) P-C4' energy: -112.400
flat angles C4'-P-C4' energy: -96.827
flat angles P-C4'-P energy: -66.257
tors. eta vs tors. theta energy: -32.947
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: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -594.879541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.879541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.879541 (E_RNA)
where:
Base-Base interactions energy: -270.656
where: short stacking energy: -178.102
Base-Backbone interact. energy: 1.620
local terms energy: -325.843376
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -103.917
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: 7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2372.852566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.852566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.852566 (E_RNA)
where:
Base-Base interactions energy: -1655.367
where: short stacking energy: -676.059
Base-Backbone interact. energy: -2.556
local terms energy: -714.929983
where:
bonds (distance) C4'-P energy: -130.081
bonds (distance) P-C4' energy: -149.758
flat angles C4'-P-C4' energy: -150.362
flat angles P-C4'-P energy: -96.888
tors. eta vs tors. theta energy: -187.841
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: 395
Temperature: 0.950000
Total energy: -2272.583834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.583834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.583834 (E_RNA)
where:
Base-Base interactions energy: -1598.125
where: short stacking energy: -660.657
Base-Backbone interact. energy: 0.154
local terms energy: -674.612876
where:
bonds (distance) C4'-P energy: -137.114
bonds (distance) P-C4' energy: -121.317
flat angles C4'-P-C4' energy: -140.406
flat angles P-C4'-P energy: -95.851
tors. eta vs tors. theta energy: -179.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2176.328041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.328041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.328041 (E_RNA)
where:
Base-Base interactions energy: -1500.935
where: short stacking energy: -615.822
Base-Backbone interact. energy: -2.478
local terms energy: -672.915024
where:
bonds (distance) C4'-P energy: -117.775
bonds (distance) P-C4' energy: -144.194
flat angles C4'-P-C4' energy: -142.533
flat angles P-C4'-P energy: -85.143
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: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2084.346034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.346034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.346034 (E_RNA)
where:
Base-Base interactions energy: -1420.535
where: short stacking energy: -630.999
Base-Backbone interact. energy: -3.360
local terms energy: -660.451124
where:
bonds (distance) C4'-P energy: -133.728
bonds (distance) P-C4' energy: -115.354
flat angles C4'-P-C4' energy: -128.757
flat angles P-C4'-P energy: -96.582
tors. eta vs tors. theta energy: -186.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1836.989289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.989289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.989289 (E_RNA)
where:
Base-Base interactions energy: -1251.423
where: short stacking energy: -559.534
Base-Backbone interact. energy: -2.304
local terms energy: -583.261992
where:
bonds (distance) C4'-P energy: -98.446
bonds (distance) P-C4' energy: -122.745
flat angles C4'-P-C4' energy: -119.899
flat angles P-C4'-P energy: -88.669
tors. eta vs tors. theta energy: -153.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1810.082738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.082738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.082738 (E_RNA)
where:
Base-Base interactions energy: -1226.634
where: short stacking energy: -514.290
Base-Backbone interact. energy: -2.539
local terms energy: -580.910282
where:
bonds (distance) C4'-P energy: -115.945
bonds (distance) P-C4' energy: -134.315
flat angles C4'-P-C4' energy: -111.700
flat angles P-C4'-P energy: -78.083
tors. eta vs tors. theta energy: -140.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1678.154945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.154945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.154945 (E_RNA)
where:
Base-Base interactions energy: -1145.620
where: short stacking energy: -472.488
Base-Backbone interact. energy: -3.105
local terms energy: -529.429404
where:
bonds (distance) C4'-P energy: -112.247
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -109.025
flat angles P-C4'-P energy: -72.561
tors. eta vs tors. theta energy: -127.382
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: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1322.698272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.698272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.698272 (E_RNA)
where:
Base-Base interactions energy: -863.936
where: short stacking energy: -399.684
Base-Backbone interact. energy: -1.468
local terms energy: -457.294610
where:
bonds (distance) C4'-P energy: -103.979
bonds (distance) P-C4' energy: -105.641
flat angles C4'-P-C4' energy: -99.823
flat angles P-C4'-P energy: -64.177
tors. eta vs tors. theta energy: -83.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -909.431702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.431702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.431702 (E_RNA)
where:
Base-Base interactions energy: -477.271
where: short stacking energy: -249.001
Base-Backbone interact. energy: 2.135
local terms energy: -434.295130
where:
bonds (distance) C4'-P energy: -127.199
bonds (distance) P-C4' energy: -124.734
flat angles C4'-P-C4' energy: -90.848
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -37.161
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -603.471672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.471672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.471672 (E_RNA)
where:
Base-Base interactions energy: -276.904
where: short stacking energy: -160.172
Base-Backbone interact. energy: 0.387
local terms energy: -326.954705
where:
bonds (distance) C4'-P energy: -113.873
bonds (distance) P-C4' energy: -116.057
flat angles C4'-P-C4' energy: -80.401
flat angles P-C4'-P energy: -41.105
tors. eta vs tors. theta energy: 24.481
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: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2384.504977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.504977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.504977 (E_RNA)
where:
Base-Base interactions energy: -1667.523
where: short stacking energy: -648.855
Base-Backbone interact. energy: 1.766
local terms energy: -718.747744
where:
bonds (distance) C4'-P energy: -136.027
bonds (distance) P-C4' energy: -140.390
flat angles C4'-P-C4' energy: -150.871
flat angles P-C4'-P energy: -109.031
tors. eta vs tors. theta energy: -182.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2248.310241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.310241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.310241 (E_RNA)
where:
Base-Base interactions energy: -1597.903
where: short stacking energy: -639.253
Base-Backbone interact. energy: 0.476
local terms energy: -650.883133
where:
bonds (distance) C4'-P energy: -126.689
bonds (distance) P-C4' energy: -126.033
flat angles C4'-P-C4' energy: -135.142
flat angles P-C4'-P energy: -97.347
tors. eta vs tors. theta energy: -165.673
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: 396
Temperature: 1.000000
Total energy: -2172.594428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.594428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.594428 (E_RNA)
where:
Base-Base interactions energy: -1522.856
where: short stacking energy: -629.602
Base-Backbone interact. energy: -2.687
local terms energy: -647.051212
where:
bonds (distance) C4'-P energy: -125.643
bonds (distance) P-C4' energy: -122.907
flat angles C4'-P-C4' energy: -136.989
flat angles P-C4'-P energy: -89.608
tors. eta vs tors. theta energy: -171.905
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: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2069.468319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.468319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.468319 (E_RNA)
where:
Base-Base interactions energy: -1408.924
where: short stacking energy: -605.164
Base-Backbone interact. energy: -2.061
local terms energy: -658.483488
where:
bonds (distance) C4'-P energy: -125.953
bonds (distance) P-C4' energy: -115.690
flat angles C4'-P-C4' energy: -138.885
flat angles P-C4'-P energy: -106.228
tors. eta vs tors. theta energy: -171.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1864.463734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.463734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.463734 (E_RNA)
where:
Base-Base interactions energy: -1246.739
where: short stacking energy: -548.801
Base-Backbone interact. energy: -0.447
local terms energy: -617.277601
where:
bonds (distance) C4'-P energy: -113.201
bonds (distance) P-C4' energy: -121.191
flat angles C4'-P-C4' energy: -126.059
flat angles P-C4'-P energy: -99.328
tors. eta vs tors. theta energy: -157.499
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: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1801.341599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.341599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.341599 (E_RNA)
where:
Base-Base interactions energy: -1223.743
where: short stacking energy: -540.493
Base-Backbone interact. energy: -0.416
local terms energy: -577.183297
where:
bonds (distance) C4'-P energy: -109.061
bonds (distance) P-C4' energy: -114.757
flat angles C4'-P-C4' energy: -123.329
flat angles P-C4'-P energy: -72.024
tors. eta vs tors. theta energy: -158.013
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: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1660.518834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.518834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.518834 (E_RNA)
where:
Base-Base interactions energy: -1098.904
where: short stacking energy: -472.035
Base-Backbone interact. energy: -3.605
local terms energy: -558.009191
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -116.111
flat angles C4'-P-C4' energy: -140.120
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -116.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1331.071257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.071257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.071257 (E_RNA)
where:
Base-Base interactions energy: -877.244
where: short stacking energy: -389.789
Base-Backbone interact. energy: -1.913
local terms energy: -451.914659
where:
bonds (distance) C4'-P energy: -110.202
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -96.010
flat angles P-C4'-P energy: -47.371
tors. eta vs tors. theta energy: -79.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -882.050679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.050679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.050679 (E_RNA)
where:
Base-Base interactions energy: -475.824
where: short stacking energy: -241.581
Base-Backbone interact. energy: -1.875
local terms energy: -404.351521
where:
bonds (distance) C4'-P energy: -114.304
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -78.076
flat angles P-C4'-P energy: -73.069
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -624.348004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.348004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.348004 (E_RNA)
where:
Base-Base interactions energy: -283.742
where: short stacking energy: -164.775
Base-Backbone interact. energy: 3.307
local terms energy: -343.912438
where:
bonds (distance) C4'-P energy: -88.812
bonds (distance) P-C4' energy: -119.570
flat angles C4'-P-C4' energy: -78.473
flat angles P-C4'-P energy: -66.370
tors. eta vs tors. theta energy: 9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2369.805568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.805568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.805568 (E_RNA)
where:
Base-Base interactions energy: -1674.064
where: short stacking energy: -663.352
Base-Backbone interact. energy: -5.777
local terms energy: -689.963736
where:
bonds (distance) C4'-P energy: -125.156
bonds (distance) P-C4' energy: -133.508
flat angles C4'-P-C4' energy: -148.004
flat angles P-C4'-P energy: -99.323
tors. eta vs tors. theta energy: -183.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2277.353105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.353105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.353105 (E_RNA)
where:
Base-Base interactions energy: -1599.566
where: short stacking energy: -649.347
Base-Backbone interact. energy: -3.597
local terms energy: -674.191065
where:
bonds (distance) C4'-P energy: -130.467
bonds (distance) P-C4' energy: -104.862
flat angles C4'-P-C4' energy: -148.469
flat angles P-C4'-P energy: -99.107
tors. eta vs tors. theta energy: -191.285
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: 397
Temperature: 1.000000
Total energy: -2156.773573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.773573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.773573 (E_RNA)
where:
Base-Base interactions energy: -1506.723
where: short stacking energy: -611.302
Base-Backbone interact. energy: -3.683
local terms energy: -646.367344
where:
bonds (distance) C4'-P energy: -126.732
bonds (distance) P-C4' energy: -118.610
flat angles C4'-P-C4' energy: -136.857
flat angles P-C4'-P energy: -91.610
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: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2092.192164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.192164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.192164 (E_RNA)
where:
Base-Base interactions energy: -1415.003
where: short stacking energy: -614.598
Base-Backbone interact. energy: -1.658
local terms energy: -675.530658
where:
bonds (distance) C4'-P energy: -120.006
bonds (distance) P-C4' energy: -130.415
flat angles C4'-P-C4' energy: -140.429
flat angles P-C4'-P energy: -106.770
tors. eta vs tors. theta energy: -177.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1899.123822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.123822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.123822 (E_RNA)
where:
Base-Base interactions energy: -1259.254
where: short stacking energy: -555.265
Base-Backbone interact. energy: -0.531
local terms energy: -639.338633
where:
bonds (distance) C4'-P energy: -121.220
bonds (distance) P-C4' energy: -131.658
flat angles C4'-P-C4' energy: -131.391
flat angles P-C4'-P energy: -87.693
tors. eta vs tors. theta energy: -167.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1774.626428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.626428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.626428 (E_RNA)
where:
Base-Base interactions energy: -1216.926
where: short stacking energy: -493.345
Base-Backbone interact. energy: -1.252
local terms energy: -556.448269
where:
bonds (distance) C4'-P energy: -100.314
bonds (distance) P-C4' energy: -116.121
flat angles C4'-P-C4' energy: -132.964
flat angles P-C4'-P energy: -72.650
tors. eta vs tors. theta energy: -134.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1620.607826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.607826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.607826 (E_RNA)
where:
Base-Base interactions energy: -1074.136
where: short stacking energy: -467.812
Base-Backbone interact. energy: 1.131
local terms energy: -547.602516
where:
bonds (distance) C4'-P energy: -113.401
bonds (distance) P-C4' energy: -103.855
flat angles C4'-P-C4' energy: -135.130
flat angles P-C4'-P energy: -88.527
tors. eta vs tors. theta energy: -106.690
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: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1343.070755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.070755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.070755 (E_RNA)
where:
Base-Base interactions energy: -860.647
where: short stacking energy: -370.936
Base-Backbone interact. energy: -1.024
local terms energy: -481.399932
where:
bonds (distance) C4'-P energy: -108.613
bonds (distance) P-C4' energy: -124.985
flat angles C4'-P-C4' energy: -117.617
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -81.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -938.296908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.296908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.296908 (E_RNA)
where:
Base-Base interactions energy: -527.566
where: short stacking energy: -268.238
Base-Backbone interact. energy: -2.972
local terms energy: -407.759710
where:
bonds (distance) C4'-P energy: -118.594
bonds (distance) P-C4' energy: -96.698
flat angles C4'-P-C4' energy: -112.617
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -644.109299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.109299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.109299 (E_RNA)
where:
Base-Base interactions energy: -275.470
where: short stacking energy: -156.898
Base-Backbone interact. energy: 0.383
local terms energy: -369.022283
where:
bonds (distance) C4'-P energy: -110.169
bonds (distance) P-C4' energy: -120.497
flat angles C4'-P-C4' energy: -99.390
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: 4.832
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: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2358.635561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.635561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.635561 (E_RNA)
where:
Base-Base interactions energy: -1675.949
where: short stacking energy: -638.763
Base-Backbone interact. energy: -1.090
local terms energy: -681.596486
where:
bonds (distance) C4'-P energy: -130.032
bonds (distance) P-C4' energy: -119.762
flat angles C4'-P-C4' energy: -144.360
flat angles P-C4'-P energy: -108.855
tors. eta vs tors. theta energy: -178.587
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: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2281.768495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.768495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.768495 (E_RNA)
where:
Base-Base interactions energy: -1569.964
where: short stacking energy: -637.514
Base-Backbone interact. energy: -6.266
local terms energy: -705.538865
where:
bonds (distance) C4'-P energy: -134.262
bonds (distance) P-C4' energy: -140.920
flat angles C4'-P-C4' energy: -142.743
flat angles P-C4'-P energy: -108.725
tors. eta vs tors. theta energy: -178.890
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: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2147.692603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.692603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.692603 (E_RNA)
where:
Base-Base interactions energy: -1467.800
where: short stacking energy: -624.742
Base-Backbone interact. energy: -0.311
local terms energy: -679.581009
where:
bonds (distance) C4'-P energy: -129.369
bonds (distance) P-C4' energy: -138.841
flat angles C4'-P-C4' energy: -152.265
flat angles P-C4'-P energy: -85.105
tors. eta vs tors. theta energy: -174.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2039.497378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.497378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.497378 (E_RNA)
where:
Base-Base interactions energy: -1370.843
where: short stacking energy: -586.842
Base-Backbone interact. energy: -0.498
local terms energy: -668.156848
where:
bonds (distance) C4'-P energy: -119.066
bonds (distance) P-C4' energy: -135.449
flat angles C4'-P-C4' energy: -149.972
flat angles P-C4'-P energy: -90.045
tors. eta vs tors. theta energy: -173.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1892.348663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.348663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.348663 (E_RNA)
where:
Base-Base interactions energy: -1290.551
where: short stacking energy: -551.132
Base-Backbone interact. energy: -2.110
local terms energy: -599.688086
where:
bonds (distance) C4'-P energy: -121.795
bonds (distance) P-C4' energy: -105.103
flat angles C4'-P-C4' energy: -130.857
flat angles P-C4'-P energy: -82.069
tors. eta vs tors. theta energy: -159.864
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1835.420695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.420695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.420695 (E_RNA)
where:
Base-Base interactions energy: -1241.479
where: short stacking energy: -520.779
Base-Backbone interact. energy: -1.851
local terms energy: -592.090419
where:
bonds (distance) C4'-P energy: -112.310
bonds (distance) P-C4' energy: -141.420
flat angles C4'-P-C4' energy: -113.234
flat angles P-C4'-P energy: -80.222
tors. eta vs tors. theta energy: -144.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1640.455361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.455361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.455361 (E_RNA)
where:
Base-Base interactions energy: -1098.784
where: short stacking energy: -454.447
Base-Backbone interact. energy: -2.307
local terms energy: -539.364523
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -111.622
flat angles C4'-P-C4' energy: -119.609
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: -115.827
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: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1351.010812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.010812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.010812 (E_RNA)
where:
Base-Base interactions energy: -903.553
where: short stacking energy: -407.236
Base-Backbone interact. energy: -2.257
local terms energy: -445.200618
where:
bonds (distance) C4'-P energy: -79.754
bonds (distance) P-C4' energy: -104.455
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -58.203
tors. eta vs tors. theta energy: -88.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -867.379182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.379182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.379182 (E_RNA)
where:
Base-Base interactions energy: -452.313
where: short stacking energy: -236.420
Base-Backbone interact. energy: 2.040
local terms energy: -417.106525
where:
bonds (distance) C4'-P energy: -103.564
bonds (distance) P-C4' energy: -120.107
flat angles C4'-P-C4' energy: -107.236
flat angles P-C4'-P energy: -63.385
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -616.742289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.742289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.742289 (E_RNA)
where:
Base-Base interactions energy: -254.236
where: short stacking energy: -170.687
Base-Backbone interact. energy: 5.261
local terms energy: -367.767417
where:
bonds (distance) C4'-P energy: -116.165
bonds (distance) P-C4' energy: -109.814
flat angles C4'-P-C4' energy: -106.953
flat angles P-C4'-P energy: -55.448
tors. eta vs tors. theta energy: 20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2379.172013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.172013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.172013 (E_RNA)
where:
Base-Base interactions energy: -1661.817
where: short stacking energy: -692.965
Base-Backbone interact. energy: 0.093
local terms energy: -717.447059
where:
bonds (distance) C4'-P energy: -137.301
bonds (distance) P-C4' energy: -131.440
flat angles C4'-P-C4' energy: -149.877
flat angles P-C4'-P energy: -102.573
tors. eta vs tors. theta energy: -196.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2265.964822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.964822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.964822 (E_RNA)
where:
Base-Base interactions energy: -1588.853
where: short stacking energy: -631.962
Base-Backbone interact. energy: -2.181
local terms energy: -674.930457
where:
bonds (distance) C4'-P energy: -133.393
bonds (distance) P-C4' energy: -128.448
flat angles C4'-P-C4' energy: -139.347
flat angles P-C4'-P energy: -92.645
tors. eta vs tors. theta energy: -181.098
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: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2136.656010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.656010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.656010 (E_RNA)
where:
Base-Base interactions energy: -1497.797
where: short stacking energy: -615.409
Base-Backbone interact. energy: -2.635
local terms energy: -636.223242
where:
bonds (distance) C4'-P energy: -104.644
bonds (distance) P-C4' energy: -122.642
flat angles C4'-P-C4' energy: -136.818
flat angles P-C4'-P energy: -89.386
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: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2051.504121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.504121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.504121 (E_RNA)
where:
Base-Base interactions energy: -1425.538
where: short stacking energy: -624.475
Base-Backbone interact. energy: -3.161
local terms energy: -622.804934
where:
bonds (distance) C4'-P energy: -107.011
bonds (distance) P-C4' energy: -104.834
flat angles C4'-P-C4' energy: -139.239
flat angles P-C4'-P energy: -93.735
tors. eta vs tors. theta energy: -177.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1962.523862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.523862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.523862 (E_RNA)
where:
Base-Base interactions energy: -1336.424
where: short stacking energy: -595.315
Base-Backbone interact. energy: -2.274
local terms energy: -623.826322
where:
bonds (distance) C4'-P energy: -122.799
bonds (distance) P-C4' energy: -105.292
flat angles C4'-P-C4' energy: -126.161
flat angles P-C4'-P energy: -93.031
tors. eta vs tors. theta energy: -176.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1819.765095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.765095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.765095 (E_RNA)
where:
Base-Base interactions energy: -1266.164
where: short stacking energy: -533.332
Base-Backbone interact. energy: -2.027
local terms energy: -551.574289
where:
bonds (distance) C4'-P energy: -96.742
bonds (distance) P-C4' energy: -95.116
flat angles C4'-P-C4' energy: -120.538
flat angles P-C4'-P energy: -88.979
tors. eta vs tors. theta energy: -150.198
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: 399
Temperature: 1.200000
Total energy: -1611.498451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.498451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.498451 (E_RNA)
where:
Base-Base interactions energy: -1092.861
where: short stacking energy: -469.217
Base-Backbone interact. energy: -1.083
local terms energy: -517.554910
where:
bonds (distance) C4'-P energy: -110.753
bonds (distance) P-C4' energy: -101.975
flat angles C4'-P-C4' energy: -130.351
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -107.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1445.950599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.950599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.950599 (E_RNA)
where:
Base-Base interactions energy: -910.111
where: short stacking energy: -417.736
Base-Backbone interact. energy: 0.377
local terms energy: -536.216851
where:
bonds (distance) C4'-P energy: -130.051
bonds (distance) P-C4' energy: -121.922
flat angles C4'-P-C4' energy: -115.615
flat angles P-C4'-P energy: -72.141
tors. eta vs tors. theta energy: -96.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -876.617278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.617278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.617278 (E_RNA)
where:
Base-Base interactions energy: -455.435
where: short stacking energy: -246.536
Base-Backbone interact. energy: -2.203
local terms energy: -418.978733
where:
bonds (distance) C4'-P energy: -102.402
bonds (distance) P-C4' energy: -108.000
flat angles C4'-P-C4' energy: -118.666
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -626.485482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.485482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.485482 (E_RNA)
where:
Base-Base interactions energy: -288.927
where: short stacking energy: -190.059
Base-Backbone interact. energy: -3.206
local terms energy: -334.352232
where:
bonds (distance) C4'-P energy: -107.490
bonds (distance) P-C4' energy: -91.130
flat angles C4'-P-C4' energy: -84.552
flat angles P-C4'-P energy: -54.771
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2364.530888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.530888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.530888 (E_RNA)
where:
Base-Base interactions energy: -1643.149
where: short stacking energy: -671.119
Base-Backbone interact. energy: -0.866
local terms energy: -720.515859
where:
bonds (distance) C4'-P energy: -135.646
bonds (distance) P-C4' energy: -129.607
flat angles C4'-P-C4' energy: -147.170
flat angles P-C4'-P energy: -115.054
tors. eta vs tors. theta energy: -193.039
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: 400
Temperature: 0.950000
Total energy: -2284.506692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.506692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.506692 (E_RNA)
where:
Base-Base interactions energy: -1613.737
where: short stacking energy: -644.603
Base-Backbone interact. energy: 1.551
local terms energy: -672.320986
where:
bonds (distance) C4'-P energy: -123.642
bonds (distance) P-C4' energy: -130.774
flat angles C4'-P-C4' energy: -154.220
flat angles P-C4'-P energy: -89.543
tors. eta vs tors. theta energy: -174.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2146.935183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.935183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.935183 (E_RNA)
where:
Base-Base interactions energy: -1500.310
where: short stacking energy: -622.984
Base-Backbone interact. energy: -1.583
local terms energy: -645.042628
where:
bonds (distance) C4'-P energy: -111.460
bonds (distance) P-C4' energy: -133.775
flat angles C4'-P-C4' energy: -138.283
flat angles P-C4'-P energy: -83.188
tors. eta vs tors. theta energy: -178.336
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: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2076.516892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.516892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.516892 (E_RNA)
where:
Base-Base interactions energy: -1406.644
where: short stacking energy: -625.362
Base-Backbone interact. energy: -3.158
local terms energy: -666.714156
where:
bonds (distance) C4'-P energy: -118.830
bonds (distance) P-C4' energy: -122.249
flat angles C4'-P-C4' energy: -147.159
flat angles P-C4'-P energy: -83.603
tors. eta vs tors. theta energy: -194.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1876.936550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.936550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.936550 (E_RNA)
where:
Base-Base interactions energy: -1245.365
where: short stacking energy: -539.282
Base-Backbone interact. energy: -0.947
local terms energy: -630.624918
where:
bonds (distance) C4'-P energy: -116.986
bonds (distance) P-C4' energy: -132.350
flat angles C4'-P-C4' energy: -133.969
flat angles P-C4'-P energy: -101.436
tors. eta vs tors. theta energy: -145.884
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: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1870.552718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.552718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.552718 (E_RNA)
where:
Base-Base interactions energy: -1255.812
where: short stacking energy: -549.032
Base-Backbone interact. energy: 6.266
local terms energy: -621.006471
where:
bonds (distance) C4'-P energy: -109.603
bonds (distance) P-C4' energy: -121.243
flat angles C4'-P-C4' energy: -142.454
flat angles P-C4'-P energy: -76.913
tors. eta vs tors. theta energy: -170.794
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1667.327054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.327054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.327054 (E_RNA)
where:
Base-Base interactions energy: -1124.586
where: short stacking energy: -478.626
Base-Backbone interact. energy: -3.592
local terms energy: -539.148978
where:
bonds (distance) C4'-P energy: -118.204
bonds (distance) P-C4' energy: -117.214
flat angles C4'-P-C4' energy: -113.747
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -109.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1457.964001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.964001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.964001 (E_RNA)
where:
Base-Base interactions energy: -929.910
where: short stacking energy: -423.989
Base-Backbone interact. energy: 2.795
local terms energy: -530.848930
where:
bonds (distance) C4'-P energy: -110.829
bonds (distance) P-C4' energy: -109.825
flat angles C4'-P-C4' energy: -115.834
flat angles P-C4'-P energy: -81.751
tors. eta vs tors. theta energy: -112.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -845.335247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.335247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.335247 (E_RNA)
where:
Base-Base interactions energy: -437.987
where: short stacking energy: -235.101
Base-Backbone interact. energy: -1.434
local terms energy: -405.914922
where:
bonds (distance) C4'-P energy: -109.194
bonds (distance) P-C4' energy: -100.820
flat angles C4'-P-C4' energy: -110.481
flat angles P-C4'-P energy: -60.863
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -669.549253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.549253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.549253 (E_RNA)
where:
Base-Base interactions energy: -282.684
where: short stacking energy: -177.080
Base-Backbone interact. energy: -0.023
local terms energy: -386.841801
where:
bonds (distance) C4'-P energy: -122.323
bonds (distance) P-C4' energy: -100.489
flat angles C4'-P-C4' energy: -101.761
flat angles P-C4'-P energy: -69.943
tors. eta vs tors. theta energy: 7.674
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: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2376.287084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.287084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.287084 (E_RNA)
where:
Base-Base interactions energy: -1662.136
where: short stacking energy: -694.789
Base-Backbone interact. energy: -1.852
local terms energy: -712.298962
where:
bonds (distance) C4'-P energy: -144.422
bonds (distance) P-C4' energy: -123.751
flat angles C4'-P-C4' energy: -147.654
flat angles P-C4'-P energy: -104.042
tors. eta vs tors. theta energy: -192.430
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: 401
Temperature: 0.950000
Total energy: -2251.970428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.970428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.970428 (E_RNA)
where:
Base-Base interactions energy: -1574.576
where: short stacking energy: -637.327
Base-Backbone interact. energy: -1.319
local terms energy: -676.074820
where:
bonds (distance) C4'-P energy: -125.127
bonds (distance) P-C4' energy: -132.220
flat angles C4'-P-C4' energy: -151.942
flat angles P-C4'-P energy: -85.677
tors. eta vs tors. theta energy: -181.109
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: 401
Temperature: 1.000000
Total energy: -2152.705245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.705245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.705245 (E_RNA)
where:
Base-Base interactions energy: -1490.007
where: short stacking energy: -623.436
Base-Backbone interact. energy: -2.727
local terms energy: -659.970988
where:
bonds (distance) C4'-P energy: -116.919
bonds (distance) P-C4' energy: -119.047
flat angles C4'-P-C4' energy: -145.723
flat angles P-C4'-P energy: -95.251
tors. eta vs tors. theta energy: -183.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2061.143854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.143854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.143854 (E_RNA)
where:
Base-Base interactions energy: -1390.656
where: short stacking energy: -612.166
Base-Backbone interact. energy: 2.150
local terms energy: -672.637669
where:
bonds (distance) C4'-P energy: -115.577
bonds (distance) P-C4' energy: -121.890
flat angles C4'-P-C4' energy: -141.246
flat angles P-C4'-P energy: -114.232
tors. eta vs tors. theta energy: -179.693
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: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1880.306423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.306423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.306423 (E_RNA)
where:
Base-Base interactions energy: -1284.756
where: short stacking energy: -560.474
Base-Backbone interact. energy: 1.722
local terms energy: -597.272759
where:
bonds (distance) C4'-P energy: -99.774
bonds (distance) P-C4' energy: -122.143
flat angles C4'-P-C4' energy: -128.116
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -159.415
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: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1857.386736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.386736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.386736 (E_RNA)
where:
Base-Base interactions energy: -1283.584
where: short stacking energy: -520.561
Base-Backbone interact. energy: -0.343
local terms energy: -573.459838
where:
bonds (distance) C4'-P energy: -108.272
bonds (distance) P-C4' energy: -109.134
flat angles C4'-P-C4' energy: -130.429
flat angles P-C4'-P energy: -76.939
tors. eta vs tors. theta energy: -148.685
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: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1674.032758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.032758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.032758 (E_RNA)
where:
Base-Base interactions energy: -1121.108
where: short stacking energy: -474.661
Base-Backbone interact. energy: -4.091
local terms energy: -548.833940
where:
bonds (distance) C4'-P energy: -118.470
bonds (distance) P-C4' energy: -112.569
flat angles C4'-P-C4' energy: -127.130
flat angles P-C4'-P energy: -72.668
tors. eta vs tors. theta energy: -117.998
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: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1487.296506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.296506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.296506 (E_RNA)
where:
Base-Base interactions energy: -951.893
where: short stacking energy: -440.215
Base-Backbone interact. energy: -0.853
local terms energy: -534.550408
where:
bonds (distance) C4'-P energy: -103.122
bonds (distance) P-C4' energy: -116.791
flat angles C4'-P-C4' energy: -110.030
flat angles P-C4'-P energy: -87.590
tors. eta vs tors. theta energy: -117.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -859.352574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.352574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.352574 (E_RNA)
where:
Base-Base interactions energy: -441.102
where: short stacking energy: -246.877
Base-Backbone interact. energy: 1.563
local terms energy: -419.813241
where:
bonds (distance) C4'-P energy: -103.241
bonds (distance) P-C4' energy: -115.514
flat angles C4'-P-C4' energy: -104.272
flat angles P-C4'-P energy: -64.392
tors. eta vs tors. theta energy: -32.394
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: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -754.206287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.206287 (E_RNA)
where:
Base-Base interactions energy: -384.383
where: short stacking energy: -218.011
Base-Backbone interact. energy: -1.002
local terms energy: -368.821068
where:
bonds (distance) C4'-P energy: -103.309
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -79.433
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2368.508470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.508470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.508470 (E_RNA)
where:
Base-Base interactions energy: -1668.885
where: short stacking energy: -688.739
Base-Backbone interact. energy: -5.815
local terms energy: -693.808404
where:
bonds (distance) C4'-P energy: -131.803
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -152.542
flat angles P-C4'-P energy: -100.530
tors. eta vs tors. theta energy: -192.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2252.168146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.168146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.168146 (E_RNA)
where:
Base-Base interactions energy: -1569.935
where: short stacking energy: -630.565
Base-Backbone interact. energy: -1.948
local terms energy: -680.284855
where:
bonds (distance) C4'-P energy: -126.733
bonds (distance) P-C4' energy: -134.020
flat angles C4'-P-C4' energy: -145.668
flat angles P-C4'-P energy: -100.611
tors. eta vs tors. theta energy: -173.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2189.136213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.136213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.136213 (E_RNA)
where:
Base-Base interactions energy: -1513.784
where: short stacking energy: -629.755
Base-Backbone interact. energy: -0.689
local terms energy: -674.663110
where:
bonds (distance) C4'-P energy: -118.735
bonds (distance) P-C4' energy: -136.069
flat angles C4'-P-C4' energy: -135.967
flat angles P-C4'-P energy: -101.914
tors. eta vs tors. theta energy: -181.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2060.458196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.458196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.458196 (E_RNA)
where:
Base-Base interactions energy: -1426.426
where: short stacking energy: -620.562
Base-Backbone interact. energy: 6.987
local terms energy: -641.019771
where:
bonds (distance) C4'-P energy: -125.837
bonds (distance) P-C4' energy: -118.764
flat angles C4'-P-C4' energy: -136.342
flat angles P-C4'-P energy: -82.656
tors. eta vs tors. theta energy: -177.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1959.780970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.780970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.780970 (E_RNA)
where:
Base-Base interactions energy: -1337.551
where: short stacking energy: -579.607
Base-Backbone interact. energy: -3.435
local terms energy: -618.794991
where:
bonds (distance) C4'-P energy: -112.421
bonds (distance) P-C4' energy: -116.722
flat angles C4'-P-C4' energy: -129.233
flat angles P-C4'-P energy: -100.876
tors. eta vs tors. theta energy: -159.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1822.557238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.557238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.557238 (E_RNA)
where:
Base-Base interactions energy: -1260.466
where: short stacking energy: -543.264
Base-Backbone interact. energy: -2.245
local terms energy: -559.845554
where:
bonds (distance) C4'-P energy: -94.386
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -132.510
flat angles P-C4'-P energy: -67.390
tors. eta vs tors. theta energy: -153.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1690.005955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.005955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.005955 (E_RNA)
where:
Base-Base interactions energy: -1148.344
where: short stacking energy: -466.098
Base-Backbone interact. energy: -2.890
local terms energy: -538.771792
where:
bonds (distance) C4'-P energy: -106.096
bonds (distance) P-C4' energy: -113.103
flat angles C4'-P-C4' energy: -113.283
flat angles P-C4'-P energy: -82.062
tors. eta vs tors. theta energy: -124.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1469.399631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.399631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.399631 (E_RNA)
where:
Base-Base interactions energy: -971.702
where: short stacking energy: -399.642
Base-Backbone interact. energy: -3.483
local terms energy: -494.214636
where:
bonds (distance) C4'-P energy: -118.373
bonds (distance) P-C4' energy: -112.378
flat angles C4'-P-C4' energy: -115.417
flat angles P-C4'-P energy: -60.418
tors. eta vs tors. theta energy: -87.629
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: 402
Temperature: 1.300000
Total energy: -917.577536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.577536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.577536 (E_RNA)
where:
Base-Base interactions energy: -524.234
where: short stacking energy: -242.665
Base-Backbone interact. energy: 0.995
local terms energy: -394.338622
where:
bonds (distance) C4'-P energy: -88.935
bonds (distance) P-C4' energy: -100.987
flat angles C4'-P-C4' energy: -109.097
flat angles P-C4'-P energy: -62.028
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -679.011242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.011242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.011242 (E_RNA)
where:
Base-Base interactions energy: -318.313
where: short stacking energy: -188.132
Base-Backbone interact. energy: -0.153
local terms energy: -360.545525
where:
bonds (distance) C4'-P energy: -115.283
bonds (distance) P-C4' energy: -108.508
flat angles C4'-P-C4' energy: -88.168
flat angles P-C4'-P energy: -64.977
tors. eta vs tors. theta energy: 16.390
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: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2360.858659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.858659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.858659 (E_RNA)
where:
Base-Base interactions energy: -1657.671
where: short stacking energy: -681.895
Base-Backbone interact. energy: -2.170
local terms energy: -701.017236
where:
bonds (distance) C4'-P energy: -128.581
bonds (distance) P-C4' energy: -129.389
flat angles C4'-P-C4' energy: -153.933
flat angles P-C4'-P energy: -106.652
tors. eta vs tors. theta energy: -182.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2229.318687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.318687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.318687 (E_RNA)
where:
Base-Base interactions energy: -1572.849
where: short stacking energy: -625.221
Base-Backbone interact. energy: 3.625
local terms energy: -660.095390
where:
bonds (distance) C4'-P energy: -121.112
bonds (distance) P-C4' energy: -126.967
flat angles C4'-P-C4' energy: -148.773
flat angles P-C4'-P energy: -95.417
tors. eta vs tors. theta energy: -167.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2172.799430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.799430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.799430 (E_RNA)
where:
Base-Base interactions energy: -1515.456
where: short stacking energy: -592.295
Base-Backbone interact. energy: -3.072
local terms energy: -654.272138
where:
bonds (distance) C4'-P energy: -126.886
bonds (distance) P-C4' energy: -121.585
flat angles C4'-P-C4' energy: -129.084
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -175.556
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: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2126.005950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.005950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.005950 (E_RNA)
where:
Base-Base interactions energy: -1477.694
where: short stacking energy: -643.944
Base-Backbone interact. energy: 7.102
local terms energy: -655.413270
where:
bonds (distance) C4'-P energy: -114.029
bonds (distance) P-C4' energy: -116.376
flat angles C4'-P-C4' energy: -131.746
flat angles P-C4'-P energy: -91.576
tors. eta vs tors. theta energy: -201.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1933.755128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.755128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.755128 (E_RNA)
where:
Base-Base interactions energy: -1287.798
where: short stacking energy: -558.250
Base-Backbone interact. energy: 1.140
local terms energy: -647.097168
where:
bonds (distance) C4'-P energy: -121.168
bonds (distance) P-C4' energy: -119.752
flat angles C4'-P-C4' energy: -139.994
flat angles P-C4'-P energy: -92.298
tors. eta vs tors. theta energy: -173.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1860.448230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.448230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.448230 (E_RNA)
where:
Base-Base interactions energy: -1243.221
where: short stacking energy: -551.581
Base-Backbone interact. energy: -2.311
local terms energy: -614.916022
where:
bonds (distance) C4'-P energy: -101.428
bonds (distance) P-C4' energy: -117.043
flat angles C4'-P-C4' energy: -139.753
flat angles P-C4'-P energy: -82.332
tors. eta vs tors. theta energy: -174.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1658.419643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.419643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.419643 (E_RNA)
where:
Base-Base interactions energy: -1132.296
where: short stacking energy: -489.215
Base-Backbone interact. energy: 0.829
local terms energy: -526.952702
where:
bonds (distance) C4'-P energy: -114.107
bonds (distance) P-C4' energy: -106.182
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -59.091
tors. eta vs tors. theta energy: -124.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1426.005848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.005848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.005848 (E_RNA)
where:
Base-Base interactions energy: -952.407
where: short stacking energy: -395.271
Base-Backbone interact. energy: 7.961
local terms energy: -481.559885
where:
bonds (distance) C4'-P energy: -113.319
bonds (distance) P-C4' energy: -103.180
flat angles C4'-P-C4' energy: -100.611
flat angles P-C4'-P energy: -74.248
tors. eta vs tors. theta energy: -90.202
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: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -893.169038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.169038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.169038 (E_RNA)
where:
Base-Base interactions energy: -485.086
where: short stacking energy: -243.635
Base-Backbone interact. energy: -0.378
local terms energy: -407.705588
where:
bonds (distance) C4'-P energy: -116.769
bonds (distance) P-C4' energy: -108.561
flat angles C4'-P-C4' energy: -113.617
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -663.618282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.618282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.618282 (E_RNA)
where:
Base-Base interactions energy: -328.267
where: short stacking energy: -183.194
Base-Backbone interact. energy: 3.452
local terms energy: -338.803368
where:
bonds (distance) C4'-P energy: -106.203
bonds (distance) P-C4' energy: -110.083
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -49.893
tors. eta vs tors. theta energy: 21.668
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: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2356.680644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.680644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.680644 (E_RNA)
where:
Base-Base interactions energy: -1627.992
where: short stacking energy: -681.509
Base-Backbone interact. energy: -1.605
local terms energy: -727.083798
where:
bonds (distance) C4'-P energy: -138.898
bonds (distance) P-C4' energy: -133.552
flat angles C4'-P-C4' energy: -158.233
flat angles P-C4'-P energy: -107.562
tors. eta vs tors. theta energy: -188.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2276.256215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.256215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.256215 (E_RNA)
where:
Base-Base interactions energy: -1608.165
where: short stacking energy: -654.112
Base-Backbone interact. energy: 2.845
local terms energy: -670.936215
where:
bonds (distance) C4'-P energy: -132.012
bonds (distance) P-C4' energy: -117.161
flat angles C4'-P-C4' energy: -153.547
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -179.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2188.793972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.793972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.793972 (E_RNA)
where:
Base-Base interactions energy: -1530.426
where: short stacking energy: -624.804
Base-Backbone interact. energy: -4.421
local terms energy: -653.946530
where:
bonds (distance) C4'-P energy: -116.946
bonds (distance) P-C4' energy: -146.071
flat angles C4'-P-C4' energy: -129.617
flat angles P-C4'-P energy: -83.182
tors. eta vs tors. theta energy: -178.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2109.238929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.238929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.238929 (E_RNA)
where:
Base-Base interactions energy: -1461.021
where: short stacking energy: -630.029
Base-Backbone interact. energy: -1.402
local terms energy: -646.816271
where:
bonds (distance) C4'-P energy: -114.939
bonds (distance) P-C4' energy: -124.570
flat angles C4'-P-C4' energy: -138.880
flat angles P-C4'-P energy: -86.799
tors. eta vs tors. theta energy: -181.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1877.545329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.545329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.545329 (E_RNA)
where:
Base-Base interactions energy: -1267.894
where: short stacking energy: -567.101
Base-Backbone interact. energy: -0.644
local terms energy: -609.007200
where:
bonds (distance) C4'-P energy: -114.853
bonds (distance) P-C4' energy: -112.575
flat angles C4'-P-C4' energy: -146.426
flat angles P-C4'-P energy: -78.648
tors. eta vs tors. theta energy: -156.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1867.359656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.359656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.359656 (E_RNA)
where:
Base-Base interactions energy: -1279.016
where: short stacking energy: -541.986
Base-Backbone interact. energy: -2.641
local terms energy: -585.702581
where:
bonds (distance) C4'-P energy: -119.768
bonds (distance) P-C4' energy: -108.363
flat angles C4'-P-C4' energy: -129.565
flat angles P-C4'-P energy: -71.784
tors. eta vs tors. theta energy: -156.223
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: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1643.892995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.892995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.892995 (E_RNA)
where:
Base-Base interactions energy: -1108.522
where: short stacking energy: -499.203
Base-Backbone interact. energy: 2.189
local terms energy: -537.560110
where:
bonds (distance) C4'-P energy: -110.469
bonds (distance) P-C4' energy: -113.470
flat angles C4'-P-C4' energy: -118.219
flat angles P-C4'-P energy: -75.575
tors. eta vs tors. theta energy: -119.827
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: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1428.759176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.759176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.759176 (E_RNA)
where:
Base-Base interactions energy: -931.440
where: short stacking energy: -393.463
Base-Backbone interact. energy: -0.643
local terms energy: -496.676898
where:
bonds (distance) C4'-P energy: -108.778
bonds (distance) P-C4' energy: -115.015
flat angles C4'-P-C4' energy: -109.650
flat angles P-C4'-P energy: -90.109
tors. eta vs tors. theta energy: -73.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1013.641602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.641602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.641602 (E_RNA)
where:
Base-Base interactions energy: -595.204
where: short stacking energy: -315.985
Base-Backbone interact. energy: 0.490
local terms energy: -418.927297
where:
bonds (distance) C4'-P energy: -112.285
bonds (distance) P-C4' energy: -90.847
flat angles C4'-P-C4' energy: -101.828
flat angles P-C4'-P energy: -70.809
tors. eta vs tors. theta energy: -43.159
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: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -700.710575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.710575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.710575 (E_RNA)
where:
Base-Base interactions energy: -354.942
where: short stacking energy: -198.726
Base-Backbone interact. energy: -0.071
local terms energy: -345.698048
where:
bonds (distance) C4'-P energy: -95.829
bonds (distance) P-C4' energy: -123.777
flat angles C4'-P-C4' energy: -81.691
flat angles P-C4'-P energy: -46.783
tors. eta vs tors. theta energy: 2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2352.176433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.176433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.176433 (E_RNA)
where:
Base-Base interactions energy: -1655.323
where: short stacking energy: -676.026
Base-Backbone interact. energy: 0.531
local terms energy: -697.385329
where:
bonds (distance) C4'-P energy: -134.444
bonds (distance) P-C4' energy: -130.293
flat angles C4'-P-C4' energy: -149.881
flat angles P-C4'-P energy: -93.811
tors. eta vs tors. theta energy: -188.956
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: 405
Temperature: 0.950000
Total energy: -2225.660283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.660283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.660283 (E_RNA)
where:
Base-Base interactions energy: -1552.344
where: short stacking energy: -613.764
Base-Backbone interact. energy: 1.744
local terms energy: -675.060146
where:
bonds (distance) C4'-P energy: -136.251
bonds (distance) P-C4' energy: -123.543
flat angles C4'-P-C4' energy: -151.745
flat angles P-C4'-P energy: -88.447
tors. eta vs tors. theta energy: -175.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2194.591134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.591134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.591134 (E_RNA)
where:
Base-Base interactions energy: -1536.945
where: short stacking energy: -641.299
Base-Backbone interact. energy: -3.398
local terms energy: -654.248456
where:
bonds (distance) C4'-P energy: -121.388
bonds (distance) P-C4' energy: -118.034
flat angles C4'-P-C4' energy: -142.631
flat angles P-C4'-P energy: -95.044
tors. eta vs tors. theta energy: -177.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2099.093321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.093321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.093321 (E_RNA)
where:
Base-Base interactions energy: -1442.864
where: short stacking energy: -633.599
Base-Backbone interact. energy: -2.006
local terms energy: -654.224139
where:
bonds (distance) C4'-P energy: -115.429
bonds (distance) P-C4' energy: -119.622
flat angles C4'-P-C4' energy: -146.557
flat angles P-C4'-P energy: -91.331
tors. eta vs tors. theta energy: -181.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1903.547738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.547738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.547738 (E_RNA)
where:
Base-Base interactions energy: -1276.098
where: short stacking energy: -575.346
Base-Backbone interact. energy: -0.974
local terms energy: -626.475683
where:
bonds (distance) C4'-P energy: -116.349
bonds (distance) P-C4' energy: -119.199
flat angles C4'-P-C4' energy: -133.077
flat angles P-C4'-P energy: -83.058
tors. eta vs tors. theta energy: -174.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1839.689607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.689607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.689607 (E_RNA)
where:
Base-Base interactions energy: -1238.402
where: short stacking energy: -532.733
Base-Backbone interact. energy: 0.558
local terms energy: -601.845311
where:
bonds (distance) C4'-P energy: -104.870
bonds (distance) P-C4' energy: -122.535
flat angles C4'-P-C4' energy: -129.262
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -159.733
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: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1625.232899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.232899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.232899 (E_RNA)
where:
Base-Base interactions energy: -1090.353
where: short stacking energy: -478.325
Base-Backbone interact. energy: 0.703
local terms energy: -535.582587
where:
bonds (distance) C4'-P energy: -109.355
bonds (distance) P-C4' energy: -105.803
flat angles C4'-P-C4' energy: -132.496
flat angles P-C4'-P energy: -82.019
tors. eta vs tors. theta energy: -105.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1451.715401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.715401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.715401 (E_RNA)
where:
Base-Base interactions energy: -947.459
where: short stacking energy: -394.857
Base-Backbone interact. energy: -2.145
local terms energy: -502.111537
where:
bonds (distance) C4'-P energy: -115.682
bonds (distance) P-C4' energy: -118.883
flat angles C4'-P-C4' energy: -100.442
flat angles P-C4'-P energy: -72.659
tors. eta vs tors. theta energy: -94.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -891.742812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.742812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.742812 (E_RNA)
where:
Base-Base interactions energy: -482.242
where: short stacking energy: -255.285
Base-Backbone interact. energy: 1.188
local terms energy: -410.688408
where:
bonds (distance) C4'-P energy: -106.540
bonds (distance) P-C4' energy: -136.197
flat angles C4'-P-C4' energy: -103.108
flat angles P-C4'-P energy: -56.285
tors. eta vs tors. theta energy: -8.558
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: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -715.031665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.031665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.031665 (E_RNA)
where:
Base-Base interactions energy: -354.472
where: short stacking energy: -208.423
Base-Backbone interact. energy: 0.860
local terms energy: -361.419716
where:
bonds (distance) C4'-P energy: -111.309
bonds (distance) P-C4' energy: -113.540
flat angles C4'-P-C4' energy: -78.257
flat angles P-C4'-P energy: -47.952
tors. eta vs tors. theta energy: -10.362
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: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2357.300908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.300908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.300908 (E_RNA)
where:
Base-Base interactions energy: -1654.609
where: short stacking energy: -669.277
Base-Backbone interact. energy: -3.982
local terms energy: -698.709418
where:
bonds (distance) C4'-P energy: -134.177
bonds (distance) P-C4' energy: -134.302
flat angles C4'-P-C4' energy: -140.162
flat angles P-C4'-P energy: -105.269
tors. eta vs tors. theta energy: -184.800
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: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2226.754253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.754253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.754253 (E_RNA)
where:
Base-Base interactions energy: -1543.217
where: short stacking energy: -636.051
Base-Backbone interact. energy: -4.607
local terms energy: -678.930179
where:
bonds (distance) C4'-P energy: -130.708
bonds (distance) P-C4' energy: -127.316
flat angles C4'-P-C4' energy: -150.671
flat angles P-C4'-P energy: -89.924
tors. eta vs tors. theta energy: -180.311
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: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2221.336740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.336740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.336740 (E_RNA)
where:
Base-Base interactions energy: -1568.102
where: short stacking energy: -647.993
Base-Backbone interact. energy: -0.521
local terms energy: -652.712918
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -125.128
flat angles C4'-P-C4' energy: -136.918
flat angles P-C4'-P energy: -93.522
tors. eta vs tors. theta energy: -176.981
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: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2112.850839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.850839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.850839 (E_RNA)
where:
Base-Base interactions energy: -1461.815
where: short stacking energy: -626.971
Base-Backbone interact. energy: -2.602
local terms energy: -648.433894
where:
bonds (distance) C4'-P energy: -108.295
bonds (distance) P-C4' energy: -126.313
flat angles C4'-P-C4' energy: -131.584
flat angles P-C4'-P energy: -94.980
tors. eta vs tors. theta energy: -187.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1896.254078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.254078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.254078 (E_RNA)
where:
Base-Base interactions energy: -1310.213
where: short stacking energy: -560.607
Base-Backbone interact. energy: -2.111
local terms energy: -583.930015
where:
bonds (distance) C4'-P energy: -105.291
bonds (distance) P-C4' energy: -107.299
flat angles C4'-P-C4' energy: -131.511
flat angles P-C4'-P energy: -87.687
tors. eta vs tors. theta energy: -152.141
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: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1854.282619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.282619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.282619 (E_RNA)
where:
Base-Base interactions energy: -1266.450
where: short stacking energy: -548.947
Base-Backbone interact. energy: -0.834
local terms energy: -586.997910
where:
bonds (distance) C4'-P energy: -114.329
bonds (distance) P-C4' energy: -121.666
flat angles C4'-P-C4' energy: -120.781
flat angles P-C4'-P energy: -78.527
tors. eta vs tors. theta energy: -151.695
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: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1703.006405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.006405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.006405 (E_RNA)
where:
Base-Base interactions energy: -1156.890
where: short stacking energy: -501.709
Base-Backbone interact. energy: 3.094
local terms energy: -549.210630
where:
bonds (distance) C4'-P energy: -111.307
bonds (distance) P-C4' energy: -108.532
flat angles C4'-P-C4' energy: -123.546
flat angles P-C4'-P energy: -76.093
tors. eta vs tors. theta energy: -129.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1402.708630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.708630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.708630 (E_RNA)
where:
Base-Base interactions energy: -917.302
where: short stacking energy: -391.017
Base-Backbone interact. energy: 7.788
local terms energy: -493.195312
where:
bonds (distance) C4'-P energy: -116.344
bonds (distance) P-C4' energy: -114.553
flat angles C4'-P-C4' energy: -115.180
flat angles P-C4'-P energy: -63.832
tors. eta vs tors. theta energy: -83.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -847.642973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.642973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.642973 (E_RNA)
where:
Base-Base interactions energy: -471.406
where: short stacking energy: -214.073
Base-Backbone interact. energy: -0.685
local terms energy: -375.552022
where:
bonds (distance) C4'-P energy: -103.317
bonds (distance) P-C4' energy: -113.990
flat angles C4'-P-C4' energy: -83.054
flat angles P-C4'-P energy: -73.228
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -685.459769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.459769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.459769 (E_RNA)
where:
Base-Base interactions energy: -334.605
where: short stacking energy: -180.088
Base-Backbone interact. energy: 5.652
local terms energy: -356.506983
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -103.785
flat angles C4'-P-C4' energy: -82.053
flat angles P-C4'-P energy: -69.276
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2350.861600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.861600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.861600 (E_RNA)
where:
Base-Base interactions energy: -1649.287
where: short stacking energy: -678.123
Base-Backbone interact. energy: -4.755
local terms energy: -696.818906
where:
bonds (distance) C4'-P energy: -124.477
bonds (distance) P-C4' energy: -135.264
flat angles C4'-P-C4' energy: -147.903
flat angles P-C4'-P energy: -95.981
tors. eta vs tors. theta energy: -193.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2227.280979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.280979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.280979 (E_RNA)
where:
Base-Base interactions energy: -1522.979
where: short stacking energy: -621.103
Base-Backbone interact. energy: -0.568
local terms energy: -703.733387
where:
bonds (distance) C4'-P energy: -127.957
bonds (distance) P-C4' energy: -135.324
flat angles C4'-P-C4' energy: -151.497
flat angles P-C4'-P energy: -98.761
tors. eta vs tors. theta energy: -190.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2230.118315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.118315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.118315 (E_RNA)
where:
Base-Base interactions energy: -1608.381
where: short stacking energy: -661.397
Base-Backbone interact. energy: 0.761
local terms energy: -622.499267
where:
bonds (distance) C4'-P energy: -111.059
bonds (distance) P-C4' energy: -106.972
flat angles C4'-P-C4' energy: -134.462
flat angles P-C4'-P energy: -93.413
tors. eta vs tors. theta energy: -176.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2147.724660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.724660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.724660 (E_RNA)
where:
Base-Base interactions energy: -1472.553
where: short stacking energy: -670.182
Base-Backbone interact. energy: -0.020
local terms energy: -675.152531
where:
bonds (distance) C4'-P energy: -120.057
bonds (distance) P-C4' energy: -122.442
flat angles C4'-P-C4' energy: -133.107
flat angles P-C4'-P energy: -102.628
tors. eta vs tors. theta energy: -196.918
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: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1956.894868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.894868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.894868 (E_RNA)
where:
Base-Base interactions energy: -1320.204
where: short stacking energy: -574.835
Base-Backbone interact. energy: 0.973
local terms energy: -637.663454
where:
bonds (distance) C4'-P energy: -122.076
bonds (distance) P-C4' energy: -131.502
flat angles C4'-P-C4' energy: -141.316
flat angles P-C4'-P energy: -86.454
tors. eta vs tors. theta energy: -156.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1800.292087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.292087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.292087 (E_RNA)
where:
Base-Base interactions energy: -1196.205
where: short stacking energy: -534.537
Base-Backbone interact. energy: -0.535
local terms energy: -603.552094
where:
bonds (distance) C4'-P energy: -113.893
bonds (distance) P-C4' energy: -130.516
flat angles C4'-P-C4' energy: -124.122
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -151.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1663.359752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.359752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.359752 (E_RNA)
where:
Base-Base interactions energy: -1118.677
where: short stacking energy: -468.048
Base-Backbone interact. energy: 7.804
local terms energy: -552.487064
where:
bonds (distance) C4'-P energy: -117.634
bonds (distance) P-C4' energy: -113.643
flat angles C4'-P-C4' energy: -107.467
flat angles P-C4'-P energy: -86.905
tors. eta vs tors. theta energy: -126.838
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: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1376.914434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.914434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.914434 (E_RNA)
where:
Base-Base interactions energy: -878.939
where: short stacking energy: -414.736
Base-Backbone interact. energy: -1.651
local terms energy: -496.324108
where:
bonds (distance) C4'-P energy: -101.926
bonds (distance) P-C4' energy: -112.419
flat angles C4'-P-C4' energy: -112.512
flat angles P-C4'-P energy: -79.694
tors. eta vs tors. theta energy: -89.773
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: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -905.710801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.710801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.710801 (E_RNA)
where:
Base-Base interactions energy: -549.279
where: short stacking energy: -269.293
Base-Backbone interact. energy: 3.265
local terms energy: -359.697602
where:
bonds (distance) C4'-P energy: -102.398
bonds (distance) P-C4' energy: -112.857
flat angles C4'-P-C4' energy: -76.423
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -703.256326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.256326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.256326 (E_RNA)
where:
Base-Base interactions energy: -343.760
where: short stacking energy: -220.970
Base-Backbone interact. energy: 1.238
local terms energy: -360.735065
where:
bonds (distance) C4'-P energy: -89.718
bonds (distance) P-C4' energy: -115.678
flat angles C4'-P-C4' energy: -96.052
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: 0.237
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: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2345.836826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.836826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.836826 (E_RNA)
where:
Base-Base interactions energy: -1636.318
where: short stacking energy: -686.368
Base-Backbone interact. energy: -6.366
local terms energy: -703.152729
where:
bonds (distance) C4'-P energy: -134.122
bonds (distance) P-C4' energy: -127.810
flat angles C4'-P-C4' energy: -153.553
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -186.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2243.353586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.353586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.353586 (E_RNA)
where:
Base-Base interactions energy: -1528.535
where: short stacking energy: -646.515
Base-Backbone interact. energy: -5.793
local terms energy: -709.024876
where:
bonds (distance) C4'-P energy: -138.336
bonds (distance) P-C4' energy: -139.016
flat angles C4'-P-C4' energy: -144.993
flat angles P-C4'-P energy: -96.097
tors. eta vs tors. theta energy: -190.583
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: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2235.541976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.541976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.541976 (E_RNA)
where:
Base-Base interactions energy: -1565.806
where: short stacking energy: -624.734
Base-Backbone interact. energy: -2.211
local terms energy: -667.524632
where:
bonds (distance) C4'-P energy: -126.949
bonds (distance) P-C4' energy: -126.166
flat angles C4'-P-C4' energy: -140.361
flat angles P-C4'-P energy: -99.115
tors. eta vs tors. theta energy: -174.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2076.168363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.168363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.168363 (E_RNA)
where:
Base-Base interactions energy: -1418.603
where: short stacking energy: -626.926
Base-Backbone interact. energy: -1.739
local terms energy: -655.826946
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -120.414
flat angles C4'-P-C4' energy: -140.683
flat angles P-C4'-P energy: -99.033
tors. eta vs tors. theta energy: -198.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1918.733615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.733615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.733615 (E_RNA)
where:
Base-Base interactions energy: -1320.771
where: short stacking energy: -584.876
Base-Backbone interact. energy: -0.511
local terms energy: -597.451238
where:
bonds (distance) C4'-P energy: -112.110
bonds (distance) P-C4' energy: -109.074
flat angles C4'-P-C4' energy: -139.238
flat angles P-C4'-P energy: -77.469
tors. eta vs tors. theta energy: -159.559
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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1777.215792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.215792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.215792 (E_RNA)
where:
Base-Base interactions energy: -1182.806
where: short stacking energy: -494.471
Base-Backbone interact. energy: -0.713
local terms energy: -593.697005
where:
bonds (distance) C4'-P energy: -113.997
bonds (distance) P-C4' energy: -120.857
flat angles C4'-P-C4' energy: -133.987
flat angles P-C4'-P energy: -90.750
tors. eta vs tors. theta energy: -134.105
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1641.070655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.070655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.070655 (E_RNA)
where:
Base-Base interactions energy: -1111.768
where: short stacking energy: -478.965
Base-Backbone interact. energy: 2.391
local terms energy: -531.693480
where:
bonds (distance) C4'-P energy: -112.884
bonds (distance) P-C4' energy: -116.847
flat angles C4'-P-C4' energy: -108.147
flat angles P-C4'-P energy: -79.671
tors. eta vs tors. theta energy: -114.146
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: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1266.797045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.797045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.797045 (E_RNA)
where:
Base-Base interactions energy: -824.182
where: short stacking energy: -373.970
Base-Backbone interact. energy: -1.219
local terms energy: -441.395987
where:
bonds (distance) C4'-P energy: -86.304
bonds (distance) P-C4' energy: -94.844
flat angles C4'-P-C4' energy: -114.430
flat angles P-C4'-P energy: -73.031
tors. eta vs tors. theta energy: -72.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -916.463459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.463459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.463459 (E_RNA)
where:
Base-Base interactions energy: -504.886
where: short stacking energy: -269.374
Base-Backbone interact. energy: 5.988
local terms energy: -417.565335
where:
bonds (distance) C4'-P energy: -111.020
bonds (distance) P-C4' energy: -126.443
flat angles C4'-P-C4' energy: -97.256
flat angles P-C4'-P energy: -58.369
tors. eta vs tors. theta energy: -24.477
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: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -662.062786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.062786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.062786 (E_RNA)
where:
Base-Base interactions energy: -298.061
where: short stacking energy: -183.097
Base-Backbone interact. energy: 3.238
local terms energy: -367.240271
where:
bonds (distance) C4'-P energy: -108.112
bonds (distance) P-C4' energy: -104.046
flat angles C4'-P-C4' energy: -92.363
flat angles P-C4'-P energy: -70.532
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: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2342.875921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.875921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.875921 (E_RNA)
where:
Base-Base interactions energy: -1626.247
where: short stacking energy: -657.645
Base-Backbone interact. energy: -2.667
local terms energy: -713.962654
where:
bonds (distance) C4'-P energy: -134.206
bonds (distance) P-C4' energy: -122.281
flat angles C4'-P-C4' energy: -153.694
flat angles P-C4'-P energy: -108.654
tors. eta vs tors. theta energy: -195.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2262.553862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.553862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.553862 (E_RNA)
where:
Base-Base interactions energy: -1620.317
where: short stacking energy: -667.059
Base-Backbone interact. energy: -4.644
local terms energy: -637.593007
where:
bonds (distance) C4'-P energy: -105.106
bonds (distance) P-C4' energy: -119.552
flat angles C4'-P-C4' energy: -145.542
flat angles P-C4'-P energy: -101.014
tors. eta vs tors. theta energy: -166.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2177.420697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.420697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.420697 (E_RNA)
where:
Base-Base interactions energy: -1516.696
where: short stacking energy: -604.554
Base-Backbone interact. energy: -4.002
local terms energy: -656.722617
where:
bonds (distance) C4'-P energy: -121.649
bonds (distance) P-C4' energy: -124.347
flat angles C4'-P-C4' energy: -147.396
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -184.816
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: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2080.493359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.493359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.493359 (E_RNA)
where:
Base-Base interactions energy: -1416.403
where: short stacking energy: -618.119
Base-Backbone interact. energy: -1.979
local terms energy: -662.111655
where:
bonds (distance) C4'-P energy: -112.376
bonds (distance) P-C4' energy: -126.299
flat angles C4'-P-C4' energy: -134.645
flat angles P-C4'-P energy: -96.656
tors. eta vs tors. theta energy: -192.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1953.091440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.091440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.091440 (E_RNA)
where:
Base-Base interactions energy: -1344.446
where: short stacking energy: -577.635
Base-Backbone interact. energy: 2.415
local terms energy: -611.060761
where:
bonds (distance) C4'-P energy: -108.360
bonds (distance) P-C4' energy: -118.601
flat angles C4'-P-C4' energy: -133.721
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -172.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1809.595239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.595239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.595239 (E_RNA)
where:
Base-Base interactions energy: -1228.696
where: short stacking energy: -528.320
Base-Backbone interact. energy: 1.025
local terms energy: -581.923917
where:
bonds (distance) C4'-P energy: -99.002
bonds (distance) P-C4' energy: -130.755
flat angles C4'-P-C4' energy: -125.297
flat angles P-C4'-P energy: -77.642
tors. eta vs tors. theta energy: -149.228
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: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1656.008766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.008766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.008766 (E_RNA)
where:
Base-Base interactions energy: -1110.335
where: short stacking energy: -473.715
Base-Backbone interact. energy: -3.587
local terms energy: -542.086576
where:
bonds (distance) C4'-P energy: -100.484
bonds (distance) P-C4' energy: -113.044
flat angles C4'-P-C4' energy: -131.124
flat angles P-C4'-P energy: -66.926
tors. eta vs tors. theta energy: -130.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1355.170664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.170664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.170664 (E_RNA)
where:
Base-Base interactions energy: -872.399
where: short stacking energy: -365.774
Base-Backbone interact. energy: 0.966
local terms energy: -483.737607
where:
bonds (distance) C4'-P energy: -107.962
bonds (distance) P-C4' energy: -114.900
flat angles C4'-P-C4' energy: -92.833
flat angles P-C4'-P energy: -67.628
tors. eta vs tors. theta energy: -100.415
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: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -945.271916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.271916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.271916 (E_RNA)
where:
Base-Base interactions energy: -520.369
where: short stacking energy: -250.160
Base-Backbone interact. energy: -0.558
local terms energy: -424.344421
where:
bonds (distance) C4'-P energy: -120.259
bonds (distance) P-C4' energy: -127.914
flat angles C4'-P-C4' energy: -91.429
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -26.155
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: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -685.840655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.840655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.840655 (E_RNA)
where:
Base-Base interactions energy: -358.032
where: short stacking energy: -200.587
Base-Backbone interact. energy: -1.467
local terms energy: -326.341546
where:
bonds (distance) C4'-P energy: -79.995
bonds (distance) P-C4' energy: -92.221
flat angles C4'-P-C4' energy: -99.607
flat angles P-C4'-P energy: -56.046
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2365.605042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.605042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.605042 (E_RNA)
where:
Base-Base interactions energy: -1663.949
where: short stacking energy: -684.766
Base-Backbone interact. energy: -3.481
local terms energy: -698.174932
where:
bonds (distance) C4'-P energy: -136.146
bonds (distance) P-C4' energy: -129.346
flat angles C4'-P-C4' energy: -147.254
flat angles P-C4'-P energy: -93.994
tors. eta vs tors. theta energy: -191.435
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: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2301.604471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.604471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.604471 (E_RNA)
where:
Base-Base interactions energy: -1618.417
where: short stacking energy: -653.896
Base-Backbone interact. energy: -2.383
local terms energy: -680.804296
where:
bonds (distance) C4'-P energy: -118.562
bonds (distance) P-C4' energy: -128.108
flat angles C4'-P-C4' energy: -147.434
flat angles P-C4'-P energy: -104.141
tors. eta vs tors. theta energy: -182.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2166.961220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.961220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.961220 (E_RNA)
where:
Base-Base interactions energy: -1527.126
where: short stacking energy: -619.418
Base-Backbone interact. energy: 3.206
local terms energy: -643.040458
where:
bonds (distance) C4'-P energy: -128.639
bonds (distance) P-C4' energy: -118.064
flat angles C4'-P-C4' energy: -138.976
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -177.606
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2131.374721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.374721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.374721 (E_RNA)
where:
Base-Base interactions energy: -1459.484
where: short stacking energy: -629.267
Base-Backbone interact. energy: -2.740
local terms energy: -669.151145
where:
bonds (distance) C4'-P energy: -121.106
bonds (distance) P-C4' energy: -126.015
flat angles C4'-P-C4' energy: -138.545
flat angles P-C4'-P energy: -88.614
tors. eta vs tors. theta energy: -194.870
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1918.144023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.144023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.144023 (E_RNA)
where:
Base-Base interactions energy: -1292.029
where: short stacking energy: -567.872
Base-Backbone interact. energy: -3.048
local terms energy: -623.067152
where:
bonds (distance) C4'-P energy: -119.844
bonds (distance) P-C4' energy: -133.106
flat angles C4'-P-C4' energy: -134.440
flat angles P-C4'-P energy: -72.740
tors. eta vs tors. theta energy: -162.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1817.827899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.827899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.827899 (E_RNA)
where:
Base-Base interactions energy: -1255.125
where: short stacking energy: -544.753
Base-Backbone interact. energy: -2.766
local terms energy: -559.936310
where:
bonds (distance) C4'-P energy: -88.273
bonds (distance) P-C4' energy: -108.304
flat angles C4'-P-C4' energy: -137.766
flat angles P-C4'-P energy: -75.233
tors. eta vs tors. theta energy: -150.360
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: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1657.200219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.200219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.200219 (E_RNA)
where:
Base-Base interactions energy: -1164.603
where: short stacking energy: -461.502
Base-Backbone interact. energy: -1.607
local terms energy: -490.989860
where:
bonds (distance) C4'-P energy: -94.294
bonds (distance) P-C4' energy: -117.296
flat angles C4'-P-C4' energy: -95.928
flat angles P-C4'-P energy: -63.981
tors. eta vs tors. theta energy: -119.490
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: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1420.566522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.566522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.566522 (E_RNA)
where:
Base-Base interactions energy: -916.629
where: short stacking energy: -401.223
Base-Backbone interact. energy: -3.192
local terms energy: -500.745596
where:
bonds (distance) C4'-P energy: -101.742
bonds (distance) P-C4' energy: -125.377
flat angles C4'-P-C4' energy: -126.516
flat angles P-C4'-P energy: -66.849
tors. eta vs tors. theta energy: -80.263
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: 410
Temperature: 1.300000
Total energy: -958.682827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.682827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.682827 (E_RNA)
where:
Base-Base interactions energy: -549.281
where: short stacking energy: -272.185
Base-Backbone interact. energy: 0.483
local terms energy: -409.885230
where:
bonds (distance) C4'-P energy: -98.956
bonds (distance) P-C4' energy: -117.219
flat angles C4'-P-C4' energy: -99.252
flat angles P-C4'-P energy: -67.641
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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -689.595606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.595606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.595606 (E_RNA)
where:
Base-Base interactions energy: -344.741
where: short stacking energy: -207.168
Base-Backbone interact. energy: 0.726
local terms energy: -345.580929
where:
bonds (distance) C4'-P energy: -94.934
bonds (distance) P-C4' energy: -105.106
flat angles C4'-P-C4' energy: -108.170
flat angles P-C4'-P energy: -36.918
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2368.700031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.700031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.700031 (E_RNA)
where:
Base-Base interactions energy: -1656.929
where: short stacking energy: -686.573
Base-Backbone interact. energy: -2.152
local terms energy: -709.618991
where:
bonds (distance) C4'-P energy: -136.611
bonds (distance) P-C4' energy: -134.660
flat angles C4'-P-C4' energy: -150.811
flat angles P-C4'-P energy: -96.646
tors. eta vs tors. theta energy: -190.890
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: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2282.761919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.761919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.761919 (E_RNA)
where:
Base-Base interactions energy: -1615.254
where: short stacking energy: -636.154
Base-Backbone interact. energy: -4.334
local terms energy: -663.173784
where:
bonds (distance) C4'-P energy: -138.022
bonds (distance) P-C4' energy: -132.439
flat angles C4'-P-C4' energy: -141.752
flat angles P-C4'-P energy: -85.438
tors. eta vs tors. theta energy: -165.523
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2161.672840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.672840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.672840 (E_RNA)
where:
Base-Base interactions energy: -1541.741
where: short stacking energy: -607.887
Base-Backbone interact. energy: -2.217
local terms energy: -617.714888
where:
bonds (distance) C4'-P energy: -108.215
bonds (distance) P-C4' energy: -116.888
flat angles C4'-P-C4' energy: -143.669
flat angles P-C4'-P energy: -78.429
tors. eta vs tors. theta energy: -170.513
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: 411
Temperature: 1.050000
Total energy: -2114.962117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.962117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.962117 (E_RNA)
where:
Base-Base interactions energy: -1458.072
where: short stacking energy: -615.602
Base-Backbone interact. energy: -1.792
local terms energy: -655.098382
where:
bonds (distance) C4'-P energy: -120.153
bonds (distance) P-C4' energy: -123.038
flat angles C4'-P-C4' energy: -140.649
flat angles P-C4'-P energy: -85.996
tors. eta vs tors. theta energy: -185.263
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1907.290664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.290664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.290664 (E_RNA)
where:
Base-Base interactions energy: -1277.390
where: short stacking energy: -559.335
Base-Backbone interact. energy: -3.716
local terms energy: -626.184475
where:
bonds (distance) C4'-P energy: -117.000
bonds (distance) P-C4' energy: -119.372
flat angles C4'-P-C4' energy: -130.258
flat angles P-C4'-P energy: -92.414
tors. eta vs tors. theta energy: -167.141
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: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1845.079989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.079989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.079989 (E_RNA)
where:
Base-Base interactions energy: -1258.491
where: short stacking energy: -563.156
Base-Backbone interact. energy: -0.144
local terms energy: -586.444418
where:
bonds (distance) C4'-P energy: -113.367
bonds (distance) P-C4' energy: -111.874
flat angles C4'-P-C4' energy: -127.471
flat angles P-C4'-P energy: -80.266
tors. eta vs tors. theta energy: -153.466
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1659.961572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.961572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.961572 (E_RNA)
where:
Base-Base interactions energy: -1111.848
where: short stacking energy: -458.998
Base-Backbone interact. energy: -3.869
local terms energy: -544.244550
where:
bonds (distance) C4'-P energy: -113.357
bonds (distance) P-C4' energy: -111.782
flat angles C4'-P-C4' energy: -119.703
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -123.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1372.290954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.290954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.290954 (E_RNA)
where:
Base-Base interactions energy: -880.541
where: short stacking energy: -410.098
Base-Backbone interact. energy: -2.263
local terms energy: -489.487080
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -122.286
flat angles C4'-P-C4' energy: -100.749
flat angles P-C4'-P energy: -71.291
tors. eta vs tors. theta energy: -105.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1045.539971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.539971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.539971 (E_RNA)
where:
Base-Base interactions energy: -603.483
where: short stacking energy: -300.132
Base-Backbone interact. energy: 0.029
local terms energy: -442.086042
where:
bonds (distance) C4'-P energy: -111.503
bonds (distance) P-C4' energy: -93.950
flat angles C4'-P-C4' energy: -116.204
flat angles P-C4'-P energy: -60.668
tors. eta vs tors. theta energy: -59.761
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: 411
Temperature: 1.350000
Total energy: -680.042033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.042033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.042033 (E_RNA)
where:
Base-Base interactions energy: -323.448
where: short stacking energy: -193.092
Base-Backbone interact. energy: 11.689
local terms energy: -368.283741
where:
bonds (distance) C4'-P energy: -102.525
bonds (distance) P-C4' energy: -120.648
flat angles C4'-P-C4' energy: -90.180
flat angles P-C4'-P energy: -56.777
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2375.119982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.119982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.119982 (E_RNA)
where:
Base-Base interactions energy: -1666.678
where: short stacking energy: -676.316
Base-Backbone interact. energy: -0.964
local terms energy: -707.477619
where:
bonds (distance) C4'-P energy: -139.245
bonds (distance) P-C4' energy: -142.439
flat angles C4'-P-C4' energy: -141.719
flat angles P-C4'-P energy: -95.252
tors. eta vs tors. theta energy: -188.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2261.421358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.421358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.421358 (E_RNA)
where:
Base-Base interactions energy: -1570.636
where: short stacking energy: -637.436
Base-Backbone interact. energy: -0.589
local terms energy: -690.195952
where:
bonds (distance) C4'-P energy: -118.009
bonds (distance) P-C4' energy: -149.689
flat angles C4'-P-C4' energy: -149.985
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -172.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2184.647093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.647093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.647093 (E_RNA)
where:
Base-Base interactions energy: -1527.247
where: short stacking energy: -650.627
Base-Backbone interact. energy: -1.492
local terms energy: -655.908007
where:
bonds (distance) C4'-P energy: -104.241
bonds (distance) P-C4' energy: -133.618
flat angles C4'-P-C4' energy: -142.932
flat angles P-C4'-P energy: -87.843
tors. eta vs tors. theta energy: -187.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2134.007715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.007715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.007715 (E_RNA)
where:
Base-Base interactions energy: -1447.438
where: short stacking energy: -624.400
Base-Backbone interact. energy: -1.296
local terms energy: -685.274325
where:
bonds (distance) C4'-P energy: -127.950
bonds (distance) P-C4' energy: -121.565
flat angles C4'-P-C4' energy: -146.984
flat angles P-C4'-P energy: -100.786
tors. eta vs tors. theta energy: -187.989
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: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1907.162610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.162610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.162610 (E_RNA)
where:
Base-Base interactions energy: -1285.034
where: short stacking energy: -540.232
Base-Backbone interact. energy: -2.914
local terms energy: -619.214621
where:
bonds (distance) C4'-P energy: -108.420
bonds (distance) P-C4' energy: -128.568
flat angles C4'-P-C4' energy: -142.762
flat angles P-C4'-P energy: -87.656
tors. eta vs tors. theta energy: -151.809
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: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1824.571515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.571515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.571515 (E_RNA)
where:
Base-Base interactions energy: -1230.761
where: short stacking energy: -496.984
Base-Backbone interact. energy: -2.312
local terms energy: -591.498354
where:
bonds (distance) C4'-P energy: -122.514
bonds (distance) P-C4' energy: -108.532
flat angles C4'-P-C4' energy: -143.038
flat angles P-C4'-P energy: -74.669
tors. eta vs tors. theta energy: -142.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1683.053356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.053356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.053356 (E_RNA)
where:
Base-Base interactions energy: -1163.228
where: short stacking energy: -504.652
Base-Backbone interact. energy: -0.945
local terms energy: -518.880112
where:
bonds (distance) C4'-P energy: -91.007
bonds (distance) P-C4' energy: -113.833
flat angles C4'-P-C4' energy: -116.743
flat angles P-C4'-P energy: -84.962
tors. eta vs tors. theta energy: -112.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1362.572178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.572178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.572178 (E_RNA)
where:
Base-Base interactions energy: -904.170
where: short stacking energy: -396.272
Base-Backbone interact. energy: -1.813
local terms energy: -456.588578
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -114.279
flat angles C4'-P-C4' energy: -108.029
flat angles P-C4'-P energy: -60.689
tors. eta vs tors. theta energy: -90.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1074.625273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.625273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.625273 (E_RNA)
where:
Base-Base interactions energy: -637.843
where: short stacking energy: -295.343
Base-Backbone interact. energy: 0.878
local terms energy: -437.660417
where:
bonds (distance) C4'-P energy: -105.142
bonds (distance) P-C4' energy: -118.965
flat angles C4'-P-C4' energy: -113.686
flat angles P-C4'-P energy: -65.416
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -654.405286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.405286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.405286 (E_RNA)
where:
Base-Base interactions energy: -327.118
where: short stacking energy: -208.000
Base-Backbone interact. energy: 4.855
local terms energy: -332.142142
where:
bonds (distance) C4'-P energy: -105.996
bonds (distance) P-C4' energy: -87.089
flat angles C4'-P-C4' energy: -90.598
flat angles P-C4'-P energy: -46.938
tors. eta vs tors. theta energy: -1.521
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: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2361.005172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.005172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.005172 (E_RNA)
where:
Base-Base interactions energy: -1656.996
where: short stacking energy: -666.859
Base-Backbone interact. energy: 0.803
local terms energy: -704.811793
where:
bonds (distance) C4'-P energy: -127.875
bonds (distance) P-C4' energy: -132.115
flat angles C4'-P-C4' energy: -152.812
flat angles P-C4'-P energy: -110.591
tors. eta vs tors. theta energy: -181.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2259.140359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.140359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.140359 (E_RNA)
where:
Base-Base interactions energy: -1584.744
where: short stacking energy: -626.514
Base-Backbone interact. energy: -1.946
local terms energy: -672.450273
where:
bonds (distance) C4'-P energy: -142.686
bonds (distance) P-C4' energy: -129.891
flat angles C4'-P-C4' energy: -138.424
flat angles P-C4'-P energy: -89.791
tors. eta vs tors. theta energy: -171.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2196.239214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.239214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.239214 (E_RNA)
where:
Base-Base interactions energy: -1516.458
where: short stacking energy: -636.843
Base-Backbone interact. energy: -4.381
local terms energy: -675.400277
where:
bonds (distance) C4'-P energy: -121.664
bonds (distance) P-C4' energy: -116.424
flat angles C4'-P-C4' energy: -143.840
flat angles P-C4'-P energy: -108.456
tors. eta vs tors. theta energy: -185.015
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2135.307954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.307954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.307954 (E_RNA)
where:
Base-Base interactions energy: -1483.275
where: short stacking energy: -636.457
Base-Backbone interact. energy: -5.171
local terms energy: -646.861289
where:
bonds (distance) C4'-P energy: -108.767
bonds (distance) P-C4' energy: -117.149
flat angles C4'-P-C4' energy: -134.155
flat angles P-C4'-P energy: -94.809
tors. eta vs tors. theta energy: -191.981
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: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1955.493591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.493591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.493591 (E_RNA)
where:
Base-Base interactions energy: -1330.108
where: short stacking energy: -583.373
Base-Backbone interact. energy: -1.316
local terms energy: -624.069698
where:
bonds (distance) C4'-P energy: -130.477
bonds (distance) P-C4' energy: -96.097
flat angles C4'-P-C4' energy: -136.992
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -174.009
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: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1830.501705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.501705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.501705 (E_RNA)
where:
Base-Base interactions energy: -1239.230
where: short stacking energy: -506.591
Base-Backbone interact. energy: -2.535
local terms energy: -588.736279
where:
bonds (distance) C4'-P energy: -115.950
bonds (distance) P-C4' energy: -107.015
flat angles C4'-P-C4' energy: -130.651
flat angles P-C4'-P energy: -89.767
tors. eta vs tors. theta energy: -145.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1741.515121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.515121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.515121 (E_RNA)
where:
Base-Base interactions energy: -1178.015
where: short stacking energy: -525.125
Base-Backbone interact. energy: -2.676
local terms energy: -560.823456
where:
bonds (distance) C4'-P energy: -102.281
bonds (distance) P-C4' energy: -99.720
flat angles C4'-P-C4' energy: -124.469
flat angles P-C4'-P energy: -87.740
tors. eta vs tors. theta energy: -146.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1384.767028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.767028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.767028 (E_RNA)
where:
Base-Base interactions energy: -903.676
where: short stacking energy: -374.911
Base-Backbone interact. energy: 0.380
local terms energy: -481.471294
where:
bonds (distance) C4'-P energy: -108.606
bonds (distance) P-C4' energy: -102.751
flat angles C4'-P-C4' energy: -114.772
flat angles P-C4'-P energy: -70.944
tors. eta vs tors. theta energy: -84.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1122.181561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.181561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.181561 (E_RNA)
where:
Base-Base interactions energy: -682.583
where: short stacking energy: -326.287
Base-Backbone interact. energy: -2.364
local terms energy: -437.234626
where:
bonds (distance) C4'-P energy: -96.042
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -113.694
flat angles P-C4'-P energy: -71.657
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -649.818792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.818792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.818792 (E_RNA)
where:
Base-Base interactions energy: -330.867
where: short stacking energy: -187.653
Base-Backbone interact. energy: 9.929
local terms energy: -328.880475
where:
bonds (distance) C4'-P energy: -97.288
bonds (distance) P-C4' energy: -122.543
flat angles C4'-P-C4' energy: -87.988
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: 25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2347.791207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.791207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.791207 (E_RNA)
where:
Base-Base interactions energy: -1653.224
where: short stacking energy: -670.797
Base-Backbone interact. energy: -4.581
local terms energy: -689.985777
where:
bonds (distance) C4'-P energy: -134.708
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -150.731
flat angles P-C4'-P energy: -101.165
tors. eta vs tors. theta energy: -184.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2244.267703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.267703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.267703 (E_RNA)
where:
Base-Base interactions energy: -1577.861
where: short stacking energy: -632.387
Base-Backbone interact. energy: -2.379
local terms energy: -664.027232
where:
bonds (distance) C4'-P energy: -140.103
bonds (distance) P-C4' energy: -111.752
flat angles C4'-P-C4' energy: -146.339
flat angles P-C4'-P energy: -91.303
tors. eta vs tors. theta energy: -174.529
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: 414
Temperature: 1.000000
Total energy: -2176.917267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.917267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.917267 (E_RNA)
where:
Base-Base interactions energy: -1520.600
where: short stacking energy: -634.761
Base-Backbone interact. energy: -0.314
local terms energy: -656.002566
where:
bonds (distance) C4'-P energy: -116.060
bonds (distance) P-C4' energy: -134.793
flat angles C4'-P-C4' energy: -127.901
flat angles P-C4'-P energy: -107.012
tors. eta vs tors. theta energy: -170.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2118.333761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.333761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.333761 (E_RNA)
where:
Base-Base interactions energy: -1442.672
where: short stacking energy: -637.774
Base-Backbone interact. energy: -1.463
local terms energy: -674.199461
where:
bonds (distance) C4'-P energy: -105.271
bonds (distance) P-C4' energy: -140.428
flat angles C4'-P-C4' energy: -154.605
flat angles P-C4'-P energy: -94.216
tors. eta vs tors. theta energy: -179.681
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: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1939.883980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.883980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.883980 (E_RNA)
where:
Base-Base interactions energy: -1316.098
where: short stacking energy: -568.823
Base-Backbone interact. energy: -1.194
local terms energy: -622.592859
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -136.878
flat angles C4'-P-C4' energy: -135.837
flat angles P-C4'-P energy: -77.199
tors. eta vs tors. theta energy: -159.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1836.899664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.899664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.899664 (E_RNA)
where:
Base-Base interactions energy: -1261.346
where: short stacking energy: -531.678
Base-Backbone interact. energy: -1.184
local terms energy: -574.370309
where:
bonds (distance) C4'-P energy: -94.665
bonds (distance) P-C4' energy: -113.732
flat angles C4'-P-C4' energy: -132.690
flat angles P-C4'-P energy: -85.742
tors. eta vs tors. theta energy: -147.541
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: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1705.154864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.154864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.154864 (E_RNA)
where:
Base-Base interactions energy: -1139.567
where: short stacking energy: -473.299
Base-Backbone interact. energy: 1.523
local terms energy: -567.110817
where:
bonds (distance) C4'-P energy: -97.423
bonds (distance) P-C4' energy: -125.383
flat angles C4'-P-C4' energy: -128.778
flat angles P-C4'-P energy: -83.372
tors. eta vs tors. theta energy: -132.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1385.486855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.486855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.486855 (E_RNA)
where:
Base-Base interactions energy: -907.096
where: short stacking energy: -409.875
Base-Backbone interact. energy: 2.504
local terms energy: -480.894404
where:
bonds (distance) C4'-P energy: -121.903
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -56.253
tors. eta vs tors. theta energy: -89.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1066.448924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.448924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.448924 (E_RNA)
where:
Base-Base interactions energy: -650.431
where: short stacking energy: -314.271
Base-Backbone interact. energy: -0.870
local terms energy: -415.147976
where:
bonds (distance) C4'-P energy: -112.041
bonds (distance) P-C4' energy: -85.312
flat angles C4'-P-C4' energy: -103.586
flat angles P-C4'-P energy: -62.496
tors. eta vs tors. theta energy: -51.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -651.680344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.680344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.680344 (E_RNA)
where:
Base-Base interactions energy: -337.471
where: short stacking energy: -199.375
Base-Backbone interact. energy: 0.124
local terms energy: -314.333207
where:
bonds (distance) C4'-P energy: -84.122
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -91.950
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: 15.684
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: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2355.246507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.246507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.246507 (E_RNA)
where:
Base-Base interactions energy: -1667.575
where: short stacking energy: -675.582
Base-Backbone interact. energy: -0.276
local terms energy: -687.395633
where:
bonds (distance) C4'-P energy: -124.980
bonds (distance) P-C4' energy: -127.779
flat angles C4'-P-C4' energy: -147.301
flat angles P-C4'-P energy: -106.624
tors. eta vs tors. theta energy: -180.713
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: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2250.328650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.328650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.328650 (E_RNA)
where:
Base-Base interactions energy: -1582.316
where: short stacking energy: -612.560
Base-Backbone interact. energy: -0.371
local terms energy: -667.642005
where:
bonds (distance) C4'-P energy: -120.185
bonds (distance) P-C4' energy: -124.879
flat angles C4'-P-C4' energy: -140.777
flat angles P-C4'-P energy: -101.691
tors. eta vs tors. theta energy: -180.111
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: 415
Temperature: 1.000000
Total energy: -2160.445844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.445844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.445844 (E_RNA)
where:
Base-Base interactions energy: -1491.870
where: short stacking energy: -608.123
Base-Backbone interact. energy: -3.579
local terms energy: -664.996687
where:
bonds (distance) C4'-P energy: -121.933
bonds (distance) P-C4' energy: -125.541
flat angles C4'-P-C4' energy: -143.824
flat angles P-C4'-P energy: -96.979
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: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2088.373593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.373593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.373593 (E_RNA)
where:
Base-Base interactions energy: -1449.642
where: short stacking energy: -654.083
Base-Backbone interact. energy: -0.754
local terms energy: -637.977821
where:
bonds (distance) C4'-P energy: -124.337
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -144.709
flat angles P-C4'-P energy: -83.008
tors. eta vs tors. theta energy: -186.550
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: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1931.522566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.522566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.522566 (E_RNA)
where:
Base-Base interactions energy: -1294.493
where: short stacking energy: -559.397
Base-Backbone interact. energy: -3.424
local terms energy: -633.605130
where:
bonds (distance) C4'-P energy: -113.624
bonds (distance) P-C4' energy: -127.770
flat angles C4'-P-C4' energy: -135.394
flat angles P-C4'-P energy: -93.175
tors. eta vs tors. theta energy: -163.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1823.036707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.036707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.036707 (E_RNA)
where:
Base-Base interactions energy: -1235.283
where: short stacking energy: -516.218
Base-Backbone interact. energy: -2.255
local terms energy: -585.498091
where:
bonds (distance) C4'-P energy: -130.301
bonds (distance) P-C4' energy: -99.260
flat angles C4'-P-C4' energy: -127.544
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -148.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1617.350167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.350167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.350167 (E_RNA)
where:
Base-Base interactions energy: -1097.080
where: short stacking energy: -467.798
Base-Backbone interact. energy: -1.503
local terms energy: -518.767538
where:
bonds (distance) C4'-P energy: -109.329
bonds (distance) P-C4' energy: -97.223
flat angles C4'-P-C4' energy: -118.203
flat angles P-C4'-P energy: -84.421
tors. eta vs tors. theta energy: -109.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1339.045531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.045531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.045531 (E_RNA)
where:
Base-Base interactions energy: -845.215
where: short stacking energy: -382.602
Base-Backbone interact. energy: 0.647
local terms energy: -494.477735
where:
bonds (distance) C4'-P energy: -98.316
bonds (distance) P-C4' energy: -121.270
flat angles C4'-P-C4' energy: -96.007
flat angles P-C4'-P energy: -97.833
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: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1039.429561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.429561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.429561 (E_RNA)
where:
Base-Base interactions energy: -631.475
where: short stacking energy: -308.122
Base-Backbone interact. energy: 0.455
local terms energy: -408.408976
where:
bonds (distance) C4'-P energy: -95.596
bonds (distance) P-C4' energy: -117.990
flat angles C4'-P-C4' energy: -88.025
flat angles P-C4'-P energy: -72.581
tors. eta vs tors. theta energy: -34.217
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: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -608.760908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.760908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.760908 (E_RNA)
where:
Base-Base interactions energy: -247.404
where: short stacking energy: -169.057
Base-Backbone interact. energy: 2.670
local terms energy: -364.027435
where:
bonds (distance) C4'-P energy: -107.416
bonds (distance) P-C4' energy: -111.288
flat angles C4'-P-C4' energy: -100.922
flat angles P-C4'-P energy: -51.497
tors. eta vs tors. theta energy: 7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2363.738972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.738972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.738972 (E_RNA)
where:
Base-Base interactions energy: -1668.841
where: short stacking energy: -682.107
Base-Backbone interact. energy: 0.803
local terms energy: -695.701165
where:
bonds (distance) C4'-P energy: -125.212
bonds (distance) P-C4' energy: -133.644
flat angles C4'-P-C4' energy: -156.359
flat angles P-C4'-P energy: -92.136
tors. eta vs tors. theta energy: -188.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2255.761150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.761150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.761150 (E_RNA)
where:
Base-Base interactions energy: -1595.949
where: short stacking energy: -621.693
Base-Backbone interact. energy: -1.632
local terms energy: -658.180965
where:
bonds (distance) C4'-P energy: -124.287
bonds (distance) P-C4' energy: -131.511
flat angles C4'-P-C4' energy: -144.944
flat angles P-C4'-P energy: -79.867
tors. eta vs tors. theta energy: -177.572
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: 416
Temperature: 1.000000
Total energy: -2142.764892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.764892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.764892 (E_RNA)
where:
Base-Base interactions energy: -1485.868
where: short stacking energy: -622.889
Base-Backbone interact. energy: -4.135
local terms energy: -652.762139
where:
bonds (distance) C4'-P energy: -131.034
bonds (distance) P-C4' energy: -114.164
flat angles C4'-P-C4' energy: -140.878
flat angles P-C4'-P energy: -90.335
tors. eta vs tors. theta energy: -176.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2042.473525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.473525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.473525 (E_RNA)
where:
Base-Base interactions energy: -1396.144
where: short stacking energy: -594.796
Base-Backbone interact. energy: -2.231
local terms energy: -644.099179
where:
bonds (distance) C4'-P energy: -116.108
bonds (distance) P-C4' energy: -135.378
flat angles C4'-P-C4' energy: -146.870
flat angles P-C4'-P energy: -91.297
tors. eta vs tors. theta energy: -154.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1929.786825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.786825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.786825 (E_RNA)
where:
Base-Base interactions energy: -1291.839
where: short stacking energy: -562.988
Base-Backbone interact. energy: -1.287
local terms energy: -636.661072
where:
bonds (distance) C4'-P energy: -121.403
bonds (distance) P-C4' energy: -120.640
flat angles C4'-P-C4' energy: -141.283
flat angles P-C4'-P energy: -78.605
tors. eta vs tors. theta energy: -174.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1837.214259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.214259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.214259 (E_RNA)
where:
Base-Base interactions energy: -1251.072
where: short stacking energy: -541.426
Base-Backbone interact. energy: -0.944
local terms energy: -585.198248
where:
bonds (distance) C4'-P energy: -105.794
bonds (distance) P-C4' energy: -136.717
flat angles C4'-P-C4' energy: -122.444
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -144.102
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: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1614.349683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.349683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.349683 (E_RNA)
where:
Base-Base interactions energy: -1051.703
where: short stacking energy: -450.367
Base-Backbone interact. energy: -1.810
local terms energy: -560.836624
where:
bonds (distance) C4'-P energy: -121.058
bonds (distance) P-C4' energy: -132.221
flat angles C4'-P-C4' energy: -119.154
flat angles P-C4'-P energy: -83.674
tors. eta vs tors. theta energy: -104.730
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: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1402.628864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.628864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.628864 (E_RNA)
where:
Base-Base interactions energy: -888.974
where: short stacking energy: -417.248
Base-Backbone interact. energy: -2.287
local terms energy: -511.367914
where:
bonds (distance) C4'-P energy: -100.482
bonds (distance) P-C4' energy: -121.323
flat angles C4'-P-C4' energy: -124.184
flat angles P-C4'-P energy: -61.550
tors. eta vs tors. theta energy: -103.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1077.186580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.186580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.186580 (E_RNA)
where:
Base-Base interactions energy: -665.771
where: short stacking energy: -295.544
Base-Backbone interact. energy: 8.499
local terms energy: -419.913762
where:
bonds (distance) C4'-P energy: -106.000
bonds (distance) P-C4' energy: -110.380
flat angles C4'-P-C4' energy: -92.770
flat angles P-C4'-P energy: -67.050
tors. eta vs tors. theta energy: -43.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -624.249701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.249701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.249701 (E_RNA)
where:
Base-Base interactions energy: -277.380
where: short stacking energy: -178.261
Base-Backbone interact. energy: 2.929
local terms energy: -349.798924
where:
bonds (distance) C4'-P energy: -101.492
bonds (distance) P-C4' energy: -115.684
flat angles C4'-P-C4' energy: -91.894
flat angles P-C4'-P energy: -54.544
tors. eta vs tors. theta energy: 13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2348.907386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.907386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.907386 (E_RNA)
where:
Base-Base interactions energy: -1657.675
where: short stacking energy: -670.196
Base-Backbone interact. energy: -0.614
local terms energy: -690.618291
where:
bonds (distance) C4'-P energy: -126.825
bonds (distance) P-C4' energy: -136.565
flat angles C4'-P-C4' energy: -140.766
flat angles P-C4'-P energy: -105.522
tors. eta vs tors. theta energy: -180.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2285.645024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.645024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.645024 (E_RNA)
where:
Base-Base interactions energy: -1590.536
where: short stacking energy: -634.007
Base-Backbone interact. energy: -5.237
local terms energy: -689.872073
where:
bonds (distance) C4'-P energy: -138.436
bonds (distance) P-C4' energy: -128.903
flat angles C4'-P-C4' energy: -142.651
flat angles P-C4'-P energy: -94.416
tors. eta vs tors. theta energy: -185.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2164.540459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.540459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.540459 (E_RNA)
where:
Base-Base interactions energy: -1501.523
where: short stacking energy: -622.243
Base-Backbone interact. energy: -3.148
local terms energy: -659.869302
where:
bonds (distance) C4'-P energy: -115.006
bonds (distance) P-C4' energy: -134.684
flat angles C4'-P-C4' energy: -143.011
flat angles P-C4'-P energy: -82.506
tors. eta vs tors. theta energy: -184.663
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: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2138.944832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.944832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.944832 (E_RNA)
where:
Base-Base interactions energy: -1459.987
where: short stacking energy: -636.366
Base-Backbone interact. energy: -1.406
local terms energy: -677.552136
where:
bonds (distance) C4'-P energy: -121.790
bonds (distance) P-C4' energy: -130.291
flat angles C4'-P-C4' energy: -145.778
flat angles P-C4'-P energy: -90.241
tors. eta vs tors. theta energy: -189.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1883.858551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.858551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.858551 (E_RNA)
where:
Base-Base interactions energy: -1276.648
where: short stacking energy: -536.107
Base-Backbone interact. energy: -1.117
local terms energy: -606.093362
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -105.777
flat angles C4'-P-C4' energy: -124.576
flat angles P-C4'-P energy: -88.043
tors. eta vs tors. theta energy: -162.169
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: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1826.036898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.036898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.036898 (E_RNA)
where:
Base-Base interactions energy: -1250.636
where: short stacking energy: -554.805
Base-Backbone interact. energy: -1.158
local terms energy: -574.242748
where:
bonds (distance) C4'-P energy: -105.075
bonds (distance) P-C4' energy: -103.222
flat angles C4'-P-C4' energy: -134.896
flat angles P-C4'-P energy: -71.481
tors. eta vs tors. theta energy: -159.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1625.026729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.026729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.026729 (E_RNA)
where:
Base-Base interactions energy: -1121.456
where: short stacking energy: -489.708
Base-Backbone interact. energy: -3.304
local terms energy: -500.265830
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -111.780
flat angles C4'-P-C4' energy: -117.606
flat angles P-C4'-P energy: -60.071
tors. eta vs tors. theta energy: -107.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1357.639665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.639665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.639665 (E_RNA)
where:
Base-Base interactions energy: -865.223
where: short stacking energy: -394.148
Base-Backbone interact. energy: 4.081
local terms energy: -496.497008
where:
bonds (distance) C4'-P energy: -103.566
bonds (distance) P-C4' energy: -120.827
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -62.590
tors. eta vs tors. theta energy: -90.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1085.760563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.760563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.760563 (E_RNA)
where:
Base-Base interactions energy: -667.098
where: short stacking energy: -299.487
Base-Backbone interact. energy: 4.173
local terms energy: -422.836362
where:
bonds (distance) C4'-P energy: -108.693
bonds (distance) P-C4' energy: -116.332
flat angles C4'-P-C4' energy: -91.814
flat angles P-C4'-P energy: -60.476
tors. eta vs tors. theta energy: -45.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -598.521735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.521735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.521735 (E_RNA)
where:
Base-Base interactions energy: -260.707
where: short stacking energy: -171.173
Base-Backbone interact. energy: 2.759
local terms energy: -340.572908
where:
bonds (distance) C4'-P energy: -82.298
bonds (distance) P-C4' energy: -111.904
flat angles C4'-P-C4' energy: -94.618
flat angles P-C4'-P energy: -51.476
tors. eta vs tors. theta energy: -0.277
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: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2353.159126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.159126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.159126 (E_RNA)
where:
Base-Base interactions energy: -1650.954
where: short stacking energy: -663.894
Base-Backbone interact. energy: -3.927
local terms energy: -698.278263
where:
bonds (distance) C4'-P energy: -137.858
bonds (distance) P-C4' energy: -127.554
flat angles C4'-P-C4' energy: -147.061
flat angles P-C4'-P energy: -97.038
tors. eta vs tors. theta energy: -188.766
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: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2271.601488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.601488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.601488 (E_RNA)
where:
Base-Base interactions energy: -1633.039
where: short stacking energy: -660.796
Base-Backbone interact. energy: -4.156
local terms energy: -634.406860
where:
bonds (distance) C4'-P energy: -101.132
bonds (distance) P-C4' energy: -126.944
flat angles C4'-P-C4' energy: -136.681
flat angles P-C4'-P energy: -86.513
tors. eta vs tors. theta energy: -183.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2158.393156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.393156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.393156 (E_RNA)
where:
Base-Base interactions energy: -1514.625
where: short stacking energy: -614.968
Base-Backbone interact. energy: 3.842
local terms energy: -647.609850
where:
bonds (distance) C4'-P energy: -144.052
bonds (distance) P-C4' energy: -127.986
flat angles C4'-P-C4' energy: -119.053
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -176.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2075.197983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.197983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.197983 (E_RNA)
where:
Base-Base interactions energy: -1430.366
where: short stacking energy: -608.248
Base-Backbone interact. energy: -2.912
local terms energy: -641.920345
where:
bonds (distance) C4'-P energy: -120.762
bonds (distance) P-C4' energy: -126.221
flat angles C4'-P-C4' energy: -133.215
flat angles P-C4'-P energy: -93.800
tors. eta vs tors. theta energy: -167.922
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: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1897.679009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.679009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.679009 (E_RNA)
where:
Base-Base interactions energy: -1288.410
where: short stacking energy: -555.108
Base-Backbone interact. energy: -1.769
local terms energy: -607.499438
where:
bonds (distance) C4'-P energy: -100.274
bonds (distance) P-C4' energy: -113.270
flat angles C4'-P-C4' energy: -135.405
flat angles P-C4'-P energy: -90.768
tors. eta vs tors. theta energy: -167.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1834.763198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.763198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.763198 (E_RNA)
where:
Base-Base interactions energy: -1246.516
where: short stacking energy: -562.156
Base-Backbone interact. energy: -1.798
local terms energy: -586.448528
where:
bonds (distance) C4'-P energy: -109.055
bonds (distance) P-C4' energy: -125.476
flat angles C4'-P-C4' energy: -110.838
flat angles P-C4'-P energy: -95.900
tors. eta vs tors. theta energy: -145.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1645.579932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.579932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.579932 (E_RNA)
where:
Base-Base interactions energy: -1093.703
where: short stacking energy: -451.526
Base-Backbone interact. energy: 0.025
local terms energy: -551.901884
where:
bonds (distance) C4'-P energy: -120.065
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -121.319
flat angles P-C4'-P energy: -80.528
tors. eta vs tors. theta energy: -119.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1305.551104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.551104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.551104 (E_RNA)
where:
Base-Base interactions energy: -840.098
where: short stacking energy: -395.481
Base-Backbone interact. energy: -2.701
local terms energy: -462.751349
where:
bonds (distance) C4'-P energy: -99.841
bonds (distance) P-C4' energy: -97.903
flat angles C4'-P-C4' energy: -120.540
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -82.845
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: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1079.772287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.772287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.772287 (E_RNA)
where:
Base-Base interactions energy: -661.596
where: short stacking energy: -301.643
Base-Backbone interact. energy: -4.438
local terms energy: -413.737580
where:
bonds (distance) C4'-P energy: -97.466
bonds (distance) P-C4' energy: -94.371
flat angles C4'-P-C4' energy: -119.625
flat angles P-C4'-P energy: -49.083
tors. eta vs tors. theta energy: -53.191
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: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -626.787390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.787390 (E_RNA)
where:
Base-Base interactions energy: -280.003
where: short stacking energy: -179.814
Base-Backbone interact. energy: -1.998
local terms energy: -344.786290
where:
bonds (distance) C4'-P energy: -102.299
bonds (distance) P-C4' energy: -98.047
flat angles C4'-P-C4' energy: -92.803
flat angles P-C4'-P energy: -59.861
tors. eta vs tors. theta energy: 8.223
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: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2341.429105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.429105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.429105 (E_RNA)
where:
Base-Base interactions energy: -1655.491
where: short stacking energy: -665.459
Base-Backbone interact. energy: -6.594
local terms energy: -679.344302
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -135.813
flat angles C4'-P-C4' energy: -152.345
flat angles P-C4'-P energy: -99.341
tors. eta vs tors. theta energy: -176.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2307.735985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.735985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.735985 (E_RNA)
where:
Base-Base interactions energy: -1646.211
where: short stacking energy: -656.186
Base-Backbone interact. energy: 1.014
local terms energy: -662.539327
where:
bonds (distance) C4'-P energy: -127.845
bonds (distance) P-C4' energy: -140.164
flat angles C4'-P-C4' energy: -144.550
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -171.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2171.408043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.408043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.408043 (E_RNA)
where:
Base-Base interactions energy: -1503.694
where: short stacking energy: -608.053
Base-Backbone interact. energy: -3.327
local terms energy: -664.387743
where:
bonds (distance) C4'-P energy: -117.652
bonds (distance) P-C4' energy: -121.433
flat angles C4'-P-C4' energy: -143.388
flat angles P-C4'-P energy: -99.715
tors. eta vs tors. theta energy: -182.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2093.497529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.497529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.497529 (E_RNA)
where:
Base-Base interactions energy: -1456.678
where: short stacking energy: -653.269
Base-Backbone interact. energy: 0.405
local terms energy: -637.224916
where:
bonds (distance) C4'-P energy: -115.348
bonds (distance) P-C4' energy: -118.310
flat angles C4'-P-C4' energy: -145.531
flat angles P-C4'-P energy: -83.682
tors. eta vs tors. theta energy: -174.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1919.449203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.449203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.449203 (E_RNA)
where:
Base-Base interactions energy: -1298.918
where: short stacking energy: -580.053
Base-Backbone interact. energy: 1.692
local terms energy: -622.223096
where:
bonds (distance) C4'-P energy: -113.835
bonds (distance) P-C4' energy: -124.504
flat angles C4'-P-C4' energy: -141.387
flat angles P-C4'-P energy: -78.422
tors. eta vs tors. theta energy: -164.075
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: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1849.924833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.924833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.924833 (E_RNA)
where:
Base-Base interactions energy: -1250.169
where: short stacking energy: -541.280
Base-Backbone interact. energy: -2.044
local terms energy: -597.711770
where:
bonds (distance) C4'-P energy: -126.401
bonds (distance) P-C4' energy: -113.927
flat angles C4'-P-C4' energy: -131.719
flat angles P-C4'-P energy: -76.496
tors. eta vs tors. theta energy: -149.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1677.767555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.767555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.767555 (E_RNA)
where:
Base-Base interactions energy: -1139.374
where: short stacking energy: -491.812
Base-Backbone interact. energy: -4.752
local terms energy: -533.641205
where:
bonds (distance) C4'-P energy: -105.380
bonds (distance) P-C4' energy: -122.432
flat angles C4'-P-C4' energy: -108.712
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -123.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1348.674738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.674738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.674738 (E_RNA)
where:
Base-Base interactions energy: -892.829
where: short stacking energy: -401.824
Base-Backbone interact. energy: 1.778
local terms energy: -457.623865
where:
bonds (distance) C4'-P energy: -93.507
bonds (distance) P-C4' energy: -116.747
flat angles C4'-P-C4' energy: -112.353
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -73.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1091.692589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.692589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.692589 (E_RNA)
where:
Base-Base interactions energy: -666.929
where: short stacking energy: -314.524
Base-Backbone interact. energy: -2.915
local terms energy: -421.848398
where:
bonds (distance) C4'-P energy: -82.742
bonds (distance) P-C4' energy: -115.341
flat angles C4'-P-C4' energy: -95.801
flat angles P-C4'-P energy: -68.370
tors. eta vs tors. theta energy: -59.594
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: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -655.141013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.141013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.141013 (E_RNA)
where:
Base-Base interactions energy: -295.477
where: short stacking energy: -203.300
Base-Backbone interact. energy: -0.590
local terms energy: -359.073712
where:
bonds (distance) C4'-P energy: -96.997
bonds (distance) P-C4' energy: -114.859
flat angles C4'-P-C4' energy: -91.617
flat angles P-C4'-P energy: -64.969
tors. eta vs tors. theta energy: 9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2349.802940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.802940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.802940 (E_RNA)
where:
Base-Base interactions energy: -1643.358
where: short stacking energy: -679.074
Base-Backbone interact. energy: -2.990
local terms energy: -703.455711
where:
bonds (distance) C4'-P energy: -125.065
bonds (distance) P-C4' energy: -135.275
flat angles C4'-P-C4' energy: -156.502
flat angles P-C4'-P energy: -108.097
tors. eta vs tors. theta energy: -178.517
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: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2264.584940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.584940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.584940 (E_RNA)
where:
Base-Base interactions energy: -1599.367
where: short stacking energy: -619.086
Base-Backbone interact. energy: -6.550
local terms energy: -658.667232
where:
bonds (distance) C4'-P energy: -118.028
bonds (distance) P-C4' energy: -129.606
flat angles C4'-P-C4' energy: -144.863
flat angles P-C4'-P energy: -86.856
tors. eta vs tors. theta energy: -179.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2171.944055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.944055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.944055 (E_RNA)
where:
Base-Base interactions energy: -1496.213
where: short stacking energy: -617.899
Base-Backbone interact. energy: -1.519
local terms energy: -674.211698
where:
bonds (distance) C4'-P energy: -122.030
bonds (distance) P-C4' energy: -128.628
flat angles C4'-P-C4' energy: -139.558
flat angles P-C4'-P energy: -103.544
tors. eta vs tors. theta energy: -180.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2054.511384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.511384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.511384 (E_RNA)
where:
Base-Base interactions energy: -1400.172
where: short stacking energy: -652.488
Base-Backbone interact. energy: -0.077
local terms energy: -654.262314
where:
bonds (distance) C4'-P energy: -113.500
bonds (distance) P-C4' energy: -117.840
flat angles C4'-P-C4' energy: -150.763
flat angles P-C4'-P energy: -89.744
tors. eta vs tors. theta energy: -182.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1932.519486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.519486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.519486 (E_RNA)
where:
Base-Base interactions energy: -1298.937
where: short stacking energy: -575.830
Base-Backbone interact. energy: 0.216
local terms energy: -633.798312
where:
bonds (distance) C4'-P energy: -117.754
bonds (distance) P-C4' energy: -116.941
flat angles C4'-P-C4' energy: -140.435
flat angles P-C4'-P energy: -100.800
tors. eta vs tors. theta energy: -157.868
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: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1809.717215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.717215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.717215 (E_RNA)
where:
Base-Base interactions energy: -1206.301
where: short stacking energy: -516.173
Base-Backbone interact. energy: -0.251
local terms energy: -603.165077
where:
bonds (distance) C4'-P energy: -105.280
bonds (distance) P-C4' energy: -132.204
flat angles C4'-P-C4' energy: -143.642
flat angles P-C4'-P energy: -81.572
tors. eta vs tors. theta energy: -140.468
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: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1687.610256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.610256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.610256 (E_RNA)
where:
Base-Base interactions energy: -1169.858
where: short stacking energy: -485.067
Base-Backbone interact. energy: -0.848
local terms energy: -516.903608
where:
bonds (distance) C4'-P energy: -105.675
bonds (distance) P-C4' energy: -113.102
flat angles C4'-P-C4' energy: -127.187
flat angles P-C4'-P energy: -64.216
tors. eta vs tors. theta energy: -106.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1366.180014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.180014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.180014 (E_RNA)
where:
Base-Base interactions energy: -880.815
where: short stacking energy: -404.464
Base-Backbone interact. energy: -0.781
local terms energy: -484.583852
where:
bonds (distance) C4'-P energy: -117.529
bonds (distance) P-C4' energy: -124.313
flat angles C4'-P-C4' energy: -124.408
flat angles P-C4'-P energy: -50.703
tors. eta vs tors. theta energy: -67.631
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: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1030.135416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.135416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.135416 (E_RNA)
where:
Base-Base interactions energy: -624.392
where: short stacking energy: -289.316
Base-Backbone interact. energy: 6.429
local terms energy: -412.172296
where:
bonds (distance) C4'-P energy: -81.109
bonds (distance) P-C4' energy: -131.957
flat angles C4'-P-C4' energy: -106.171
flat angles P-C4'-P energy: -58.163
tors. eta vs tors. theta energy: -34.772
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: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -660.737183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.737183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.737183 (E_RNA)
where:
Base-Base interactions energy: -329.782
where: short stacking energy: -220.189
Base-Backbone interact. energy: 6.178
local terms energy: -337.133124
where:
bonds (distance) C4'-P energy: -110.996
bonds (distance) P-C4' energy: -100.707
flat angles C4'-P-C4' energy: -78.305
flat angles P-C4'-P energy: -49.330
tors. eta vs tors. theta energy: 2.206
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: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2314.305735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.305735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.305735 (E_RNA)
where:
Base-Base interactions energy: -1627.773
where: short stacking energy: -662.588
Base-Backbone interact. energy: -1.137
local terms energy: -685.395634
where:
bonds (distance) C4'-P energy: -130.714
bonds (distance) P-C4' energy: -135.193
flat angles C4'-P-C4' energy: -139.617
flat angles P-C4'-P energy: -91.041
tors. eta vs tors. theta energy: -188.830
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: 421
Temperature: 0.950000
Total energy: -2263.202811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.202811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.202811 (E_RNA)
where:
Base-Base interactions energy: -1579.623
where: short stacking energy: -637.480
Base-Backbone interact. energy: 1.577
local terms energy: -685.157166
where:
bonds (distance) C4'-P energy: -143.971
bonds (distance) P-C4' energy: -135.914
flat angles C4'-P-C4' energy: -135.851
flat angles P-C4'-P energy: -94.821
tors. eta vs tors. theta energy: -174.600
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: 421
Temperature: 1.000000
Total energy: -2152.916615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.916615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.916615 (E_RNA)
where:
Base-Base interactions energy: -1521.878
where: short stacking energy: -609.267
Base-Backbone interact. energy: -1.732
local terms energy: -629.306746
where:
bonds (distance) C4'-P energy: -109.684
bonds (distance) P-C4' energy: -119.889
flat angles C4'-P-C4' energy: -133.650
flat angles P-C4'-P energy: -97.940
tors. eta vs tors. theta energy: -168.144
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: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2092.315864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.315864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.315864 (E_RNA)
where:
Base-Base interactions energy: -1421.763
where: short stacking energy: -631.612
Base-Backbone interact. energy: 2.318
local terms energy: -672.870688
where:
bonds (distance) C4'-P energy: -111.774
bonds (distance) P-C4' energy: -136.650
flat angles C4'-P-C4' energy: -147.417
flat angles P-C4'-P energy: -91.890
tors. eta vs tors. theta energy: -185.140
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: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1922.260987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.260987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.260987 (E_RNA)
where:
Base-Base interactions energy: -1316.526
where: short stacking energy: -571.026
Base-Backbone interact. energy: -3.562
local terms energy: -602.173210
where:
bonds (distance) C4'-P energy: -104.709
bonds (distance) P-C4' energy: -129.719
flat angles C4'-P-C4' energy: -133.941
flat angles P-C4'-P energy: -76.623
tors. eta vs tors. theta energy: -157.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1879.552762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.552762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.552762 (E_RNA)
where:
Base-Base interactions energy: -1279.354
where: short stacking energy: -547.198
Base-Backbone interact. energy: -1.789
local terms energy: -598.409328
where:
bonds (distance) C4'-P energy: -120.211
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -130.440
flat angles P-C4'-P energy: -92.269
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1731.447262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.447262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.447262 (E_RNA)
where:
Base-Base interactions energy: -1190.074
where: short stacking energy: -492.163
Base-Backbone interact. energy: -1.292
local terms energy: -540.081126
where:
bonds (distance) C4'-P energy: -101.010
bonds (distance) P-C4' energy: -98.121
flat angles C4'-P-C4' energy: -115.728
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -130.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1366.799472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.799472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.799472 (E_RNA)
where:
Base-Base interactions energy: -884.297
where: short stacking energy: -405.473
Base-Backbone interact. energy: -1.888
local terms energy: -480.615022
where:
bonds (distance) C4'-P energy: -99.455
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -126.915
flat angles P-C4'-P energy: -77.761
tors. eta vs tors. theta energy: -89.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1007.642934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.642934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.642934 (E_RNA)
where:
Base-Base interactions energy: -609.865
where: short stacking energy: -294.712
Base-Backbone interact. energy: 2.376
local terms energy: -400.153969
where:
bonds (distance) C4'-P energy: -105.844
bonds (distance) P-C4' energy: -110.578
flat angles C4'-P-C4' energy: -97.534
flat angles P-C4'-P energy: -46.030
tors. eta vs tors. theta energy: -40.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -646.326922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.326922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.326922 (E_RNA)
where:
Base-Base interactions energy: -313.025
where: short stacking energy: -187.212
Base-Backbone interact. energy: 2.336
local terms energy: -335.637780
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -78.702
flat angles P-C4'-P energy: -67.334
tors. eta vs tors. theta energy: 7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2343.770113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.770113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.770113 (E_RNA)
where:
Base-Base interactions energy: -1653.174
where: short stacking energy: -674.735
Base-Backbone interact. energy: -5.232
local terms energy: -685.363745
where:
bonds (distance) C4'-P energy: -120.863
bonds (distance) P-C4' energy: -124.633
flat angles C4'-P-C4' energy: -149.447
flat angles P-C4'-P energy: -111.750
tors. eta vs tors. theta energy: -178.671
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: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2282.769056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.769056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.769056 (E_RNA)
where:
Base-Base interactions energy: -1597.830
where: short stacking energy: -638.838
Base-Backbone interact. energy: -3.208
local terms energy: -681.731637
where:
bonds (distance) C4'-P energy: -123.297
bonds (distance) P-C4' energy: -137.645
flat angles C4'-P-C4' energy: -144.601
flat angles P-C4'-P energy: -95.186
tors. eta vs tors. theta energy: -181.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2165.852566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.852566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.852566 (E_RNA)
where:
Base-Base interactions energy: -1474.866
where: short stacking energy: -628.108
Base-Backbone interact. energy: -3.059
local terms energy: -687.927632
where:
bonds (distance) C4'-P energy: -111.170
bonds (distance) P-C4' energy: -130.161
flat angles C4'-P-C4' energy: -139.176
flat angles P-C4'-P energy: -108.721
tors. eta vs tors. theta energy: -198.700
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: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2161.415880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.415880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.415880 (E_RNA)
where:
Base-Base interactions energy: -1494.712
where: short stacking energy: -607.341
Base-Backbone interact. energy: -4.036
local terms energy: -662.667441
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -129.824
flat angles C4'-P-C4' energy: -143.001
flat angles P-C4'-P energy: -90.610
tors. eta vs tors. theta energy: -174.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1951.561248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.561248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.561248 (E_RNA)
where:
Base-Base interactions energy: -1304.352
where: short stacking energy: -568.038
Base-Backbone interact. energy: 0.172
local terms energy: -647.381404
where:
bonds (distance) C4'-P energy: -112.187
bonds (distance) P-C4' energy: -134.082
flat angles C4'-P-C4' energy: -145.700
flat angles P-C4'-P energy: -91.009
tors. eta vs tors. theta energy: -164.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1853.697546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.697546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.697546 (E_RNA)
where:
Base-Base interactions energy: -1231.880
where: short stacking energy: -527.642
Base-Backbone interact. energy: -2.109
local terms energy: -619.708485
where:
bonds (distance) C4'-P energy: -118.188
bonds (distance) P-C4' energy: -129.214
flat angles C4'-P-C4' energy: -127.780
flat angles P-C4'-P energy: -84.141
tors. eta vs tors. theta energy: -160.386
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: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1690.746232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.746232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.746232 (E_RNA)
where:
Base-Base interactions energy: -1152.507
where: short stacking energy: -485.232
Base-Backbone interact. energy: 1.890
local terms energy: -540.129350
where:
bonds (distance) C4'-P energy: -90.800
bonds (distance) P-C4' energy: -117.909
flat angles C4'-P-C4' energy: -122.033
flat angles P-C4'-P energy: -88.599
tors. eta vs tors. theta energy: -120.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1373.422575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.422575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.422575 (E_RNA)
where:
Base-Base interactions energy: -893.974
where: short stacking energy: -406.452
Base-Backbone interact. energy: -0.451
local terms energy: -478.998203
where:
bonds (distance) C4'-P energy: -89.396
bonds (distance) P-C4' energy: -108.640
flat angles C4'-P-C4' energy: -103.784
flat angles P-C4'-P energy: -79.436
tors. eta vs tors. theta energy: -97.741
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: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1064.314211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.314211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.314211 (E_RNA)
where:
Base-Base interactions energy: -627.843
where: short stacking energy: -305.989
Base-Backbone interact. energy: -0.932
local terms energy: -435.539531
where:
bonds (distance) C4'-P energy: -113.150
bonds (distance) P-C4' energy: -115.711
flat angles C4'-P-C4' energy: -104.298
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -43.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -639.369616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.369616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.369616 (E_RNA)
where:
Base-Base interactions energy: -324.696
where: short stacking energy: -208.283
Base-Backbone interact. energy: 1.572
local terms energy: -316.245113
where:
bonds (distance) C4'-P energy: -82.421
bonds (distance) P-C4' energy: -126.987
flat angles C4'-P-C4' energy: -80.979
flat angles P-C4'-P energy: -42.857
tors. eta vs tors. theta energy: 16.999
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: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2390.068807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.068807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.068807 (E_RNA)
where:
Base-Base interactions energy: -1659.229
where: short stacking energy: -690.269
Base-Backbone interact. energy: -4.827
local terms energy: -726.013250
where:
bonds (distance) C4'-P energy: -144.868
bonds (distance) P-C4' energy: -131.505
flat angles C4'-P-C4' energy: -139.891
flat angles P-C4'-P energy: -110.838
tors. eta vs tors. theta energy: -198.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2253.572409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.572409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.572409 (E_RNA)
where:
Base-Base interactions energy: -1599.038
where: short stacking energy: -634.131
Base-Backbone interact. energy: -0.270
local terms energy: -654.264504
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -133.921
flat angles C4'-P-C4' energy: -142.289
flat angles P-C4'-P energy: -82.373
tors. eta vs tors. theta energy: -177.310
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2199.486259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.486259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.486259 (E_RNA)
where:
Base-Base interactions energy: -1498.055
where: short stacking energy: -673.266
Base-Backbone interact. energy: -1.152
local terms energy: -700.279494
where:
bonds (distance) C4'-P energy: -116.176
bonds (distance) P-C4' energy: -130.525
flat angles C4'-P-C4' energy: -156.653
flat angles P-C4'-P energy: -93.051
tors. eta vs tors. theta energy: -203.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2113.611452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.611452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.611452 (E_RNA)
where:
Base-Base interactions energy: -1480.861
where: short stacking energy: -611.228
Base-Backbone interact. energy: -4.027
local terms energy: -628.723182
where:
bonds (distance) C4'-P energy: -121.349
bonds (distance) P-C4' energy: -116.884
flat angles C4'-P-C4' energy: -138.999
flat angles P-C4'-P energy: -85.018
tors. eta vs tors. theta energy: -166.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1974.338112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.338112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.338112 (E_RNA)
where:
Base-Base interactions energy: -1374.941
where: short stacking energy: -602.007
Base-Backbone interact. energy: -1.906
local terms energy: -597.490831
where:
bonds (distance) C4'-P energy: -99.267
bonds (distance) P-C4' energy: -113.945
flat angles C4'-P-C4' energy: -135.535
flat angles P-C4'-P energy: -81.168
tors. eta vs tors. theta energy: -167.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1856.380076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.380076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.380076 (E_RNA)
where:
Base-Base interactions energy: -1253.908
where: short stacking energy: -517.822
Base-Backbone interact. energy: 0.361
local terms energy: -602.832746
where:
bonds (distance) C4'-P energy: -128.098
bonds (distance) P-C4' energy: -119.221
flat angles C4'-P-C4' energy: -128.376
flat angles P-C4'-P energy: -88.899
tors. eta vs tors. theta energy: -138.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1636.039432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.039432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.039432 (E_RNA)
where:
Base-Base interactions energy: -1112.302
where: short stacking energy: -482.784
Base-Backbone interact. energy: 0.674
local terms energy: -524.411814
where:
bonds (distance) C4'-P energy: -99.704
bonds (distance) P-C4' energy: -123.894
flat angles C4'-P-C4' energy: -122.781
flat angles P-C4'-P energy: -68.422
tors. eta vs tors. theta energy: -109.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1377.644430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.644430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.644430 (E_RNA)
where:
Base-Base interactions energy: -912.469
where: short stacking energy: -434.136
Base-Backbone interact. energy: -0.702
local terms energy: -464.472539
where:
bonds (distance) C4'-P energy: -83.604
bonds (distance) P-C4' energy: -111.690
flat angles C4'-P-C4' energy: -133.038
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -78.589
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: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1060.422658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.422658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.422658 (E_RNA)
where:
Base-Base interactions energy: -618.209
where: short stacking energy: -293.415
Base-Backbone interact. energy: -3.877
local terms energy: -438.336706
where:
bonds (distance) C4'-P energy: -113.186
bonds (distance) P-C4' energy: -112.037
flat angles C4'-P-C4' energy: -97.689
flat angles P-C4'-P energy: -78.903
tors. eta vs tors. theta energy: -36.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -577.046313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.046313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.046313 (E_RNA)
where:
Base-Base interactions energy: -269.309
where: short stacking energy: -189.296
Base-Backbone interact. energy: 4.289
local terms energy: -312.026288
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -106.120
flat angles C4'-P-C4' energy: -85.722
flat angles P-C4'-P energy: -46.285
tors. eta vs tors. theta energy: 20.353
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: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2378.715506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.715506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.715506 (E_RNA)
where:
Base-Base interactions energy: -1673.654
where: short stacking energy: -681.872
Base-Backbone interact. energy: -1.627
local terms energy: -703.434207
where:
bonds (distance) C4'-P energy: -124.744
bonds (distance) P-C4' energy: -134.899
flat angles C4'-P-C4' energy: -151.506
flat angles P-C4'-P energy: -111.817
tors. eta vs tors. theta energy: -180.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2281.595027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.595027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.595027 (E_RNA)
where:
Base-Base interactions energy: -1600.027
where: short stacking energy: -655.357
Base-Backbone interact. energy: -1.470
local terms energy: -680.097511
where:
bonds (distance) C4'-P energy: -125.053
bonds (distance) P-C4' energy: -134.009
flat angles C4'-P-C4' energy: -140.534
flat angles P-C4'-P energy: -95.802
tors. eta vs tors. theta energy: -184.699
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: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2164.612297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.612297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.612297 (E_RNA)
where:
Base-Base interactions energy: -1516.470
where: short stacking energy: -660.195
Base-Backbone interact. energy: -1.540
local terms energy: -646.602716
where:
bonds (distance) C4'-P energy: -96.438
bonds (distance) P-C4' energy: -127.764
flat angles C4'-P-C4' energy: -134.696
flat angles P-C4'-P energy: -96.627
tors. eta vs tors. theta energy: -191.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2081.804473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.804473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.804473 (E_RNA)
where:
Base-Base interactions energy: -1458.131
where: short stacking energy: -585.918
Base-Backbone interact. energy: 0.224
local terms energy: -623.897627
where:
bonds (distance) C4'-P energy: -113.998
bonds (distance) P-C4' energy: -113.169
flat angles C4'-P-C4' energy: -149.005
flat angles P-C4'-P energy: -90.724
tors. eta vs tors. theta energy: -157.002
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: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2027.300674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.300674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.300674 (E_RNA)
where:
Base-Base interactions energy: -1384.781
where: short stacking energy: -596.684
Base-Backbone interact. energy: -0.851
local terms energy: -641.668107
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -115.082
flat angles C4'-P-C4' energy: -130.843
flat angles P-C4'-P energy: -91.961
tors. eta vs tors. theta energy: -181.889
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1815.154930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.154930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.154930 (E_RNA)
where:
Base-Base interactions energy: -1224.073
where: short stacking energy: -529.208
Base-Backbone interact. energy: 1.528
local terms energy: -592.610110
where:
bonds (distance) C4'-P energy: -119.679
bonds (distance) P-C4' energy: -111.103
flat angles C4'-P-C4' energy: -132.797
flat angles P-C4'-P energy: -78.223
tors. eta vs tors. theta energy: -150.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1689.103183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.103183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.103183 (E_RNA)
where:
Base-Base interactions energy: -1106.376
where: short stacking energy: -467.836
Base-Backbone interact. energy: -2.058
local terms energy: -580.668744
where:
bonds (distance) C4'-P energy: -124.663
bonds (distance) P-C4' energy: -124.308
flat angles C4'-P-C4' energy: -133.405
flat angles P-C4'-P energy: -75.807
tors. eta vs tors. theta energy: -122.487
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: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1335.786372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.786372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.786372 (E_RNA)
where:
Base-Base interactions energy: -869.000
where: short stacking energy: -401.380
Base-Backbone interact. energy: 7.300
local terms energy: -474.086568
where:
bonds (distance) C4'-P energy: -114.935
bonds (distance) P-C4' energy: -100.805
flat angles C4'-P-C4' energy: -125.219
flat angles P-C4'-P energy: -66.174
tors. eta vs tors. theta energy: -66.953
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: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1036.051829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.051829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.051829 (E_RNA)
where:
Base-Base interactions energy: -619.496
where: short stacking energy: -290.273
Base-Backbone interact. energy: 0.595
local terms energy: -417.150881
where:
bonds (distance) C4'-P energy: -103.401
bonds (distance) P-C4' energy: -113.293
flat angles C4'-P-C4' energy: -100.284
flat angles P-C4'-P energy: -73.167
tors. eta vs tors. theta energy: -27.006
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: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -626.938122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.938122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.938122 (E_RNA)
where:
Base-Base interactions energy: -242.361
where: short stacking energy: -185.341
Base-Backbone interact. energy: -1.048
local terms energy: -383.528674
where:
bonds (distance) C4'-P energy: -84.703
bonds (distance) P-C4' energy: -134.796
flat angles C4'-P-C4' energy: -85.950
flat angles P-C4'-P energy: -82.878
tors. eta vs tors. theta energy: 4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2363.620229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.620229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.620229 (E_RNA)
where:
Base-Base interactions energy: -1678.877
where: short stacking energy: -660.008
Base-Backbone interact. energy: 0.358
local terms energy: -685.101064
where:
bonds (distance) C4'-P energy: -142.964
bonds (distance) P-C4' energy: -130.898
flat angles C4'-P-C4' energy: -136.216
flat angles P-C4'-P energy: -99.908
tors. eta vs tors. theta energy: -175.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2275.553106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.553106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.553106 (E_RNA)
where:
Base-Base interactions energy: -1604.346
where: short stacking energy: -646.450
Base-Backbone interact. energy: -1.335
local terms energy: -669.872516
where:
bonds (distance) C4'-P energy: -118.882
bonds (distance) P-C4' energy: -128.135
flat angles C4'-P-C4' energy: -146.967
flat angles P-C4'-P energy: -102.366
tors. eta vs tors. theta energy: -173.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2152.401777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.401777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.401777 (E_RNA)
where:
Base-Base interactions energy: -1524.863
where: short stacking energy: -661.553
Base-Backbone interact. energy: -2.637
local terms energy: -624.902076
where:
bonds (distance) C4'-P energy: -94.136
bonds (distance) P-C4' energy: -119.096
flat angles C4'-P-C4' energy: -147.476
flat angles P-C4'-P energy: -78.396
tors. eta vs tors. theta energy: -185.798
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: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2066.466974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.466974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.466974 (E_RNA)
where:
Base-Base interactions energy: -1415.175
where: short stacking energy: -625.976
Base-Backbone interact. energy: -0.072
local terms energy: -651.219460
where:
bonds (distance) C4'-P energy: -129.823
bonds (distance) P-C4' energy: -144.122
flat angles C4'-P-C4' energy: -115.773
flat angles P-C4'-P energy: -80.592
tors. eta vs tors. theta energy: -180.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2055.804155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.804155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.804155 (E_RNA)
where:
Base-Base interactions energy: -1443.881
where: short stacking energy: -555.624
Base-Backbone interact. energy: -6.544
local terms energy: -605.379037
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -117.946
flat angles C4'-P-C4' energy: -132.158
flat angles P-C4'-P energy: -80.244
tors. eta vs tors. theta energy: -163.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1829.638370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.638370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.638370 (E_RNA)
where:
Base-Base interactions energy: -1247.584
where: short stacking energy: -547.995
Base-Backbone interact. energy: -1.344
local terms energy: -580.710427
where:
bonds (distance) C4'-P energy: -113.353
bonds (distance) P-C4' energy: -115.655
flat angles C4'-P-C4' energy: -128.324
flat angles P-C4'-P energy: -76.300
tors. eta vs tors. theta energy: -147.078
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: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1705.822832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.822832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.822832 (E_RNA)
where:
Base-Base interactions energy: -1188.216
where: short stacking energy: -501.009
Base-Backbone interact. energy: -1.028
local terms energy: -516.579104
where:
bonds (distance) C4'-P energy: -101.792
bonds (distance) P-C4' energy: -105.299
flat angles C4'-P-C4' energy: -128.140
flat angles P-C4'-P energy: -59.376
tors. eta vs tors. theta energy: -121.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1392.602113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.602113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.602113 (E_RNA)
where:
Base-Base interactions energy: -881.869
where: short stacking energy: -384.439
Base-Backbone interact. energy: -3.271
local terms energy: -507.462059
where:
bonds (distance) C4'-P energy: -110.531
bonds (distance) P-C4' energy: -115.307
flat angles C4'-P-C4' energy: -108.372
flat angles P-C4'-P energy: -91.564
tors. eta vs tors. theta energy: -81.688
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: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -987.916616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.916616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.916616 (E_RNA)
where:
Base-Base interactions energy: -585.911
where: short stacking energy: -308.047
Base-Backbone interact. energy: -1.304
local terms energy: -400.702219
where:
bonds (distance) C4'-P energy: -107.668
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -119.632
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -636.708028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.708028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.708028 (E_RNA)
where:
Base-Base interactions energy: -294.983
where: short stacking energy: -189.255
Base-Backbone interact. energy: 1.364
local terms energy: -343.088957
where:
bonds (distance) C4'-P energy: -86.723
bonds (distance) P-C4' energy: -111.104
flat angles C4'-P-C4' energy: -103.029
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: 3.942
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2384.158017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.158017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.158017 (E_RNA)
where:
Base-Base interactions energy: -1691.818
where: short stacking energy: -686.207
Base-Backbone interact. energy: -0.361
local terms energy: -691.979485
where:
bonds (distance) C4'-P energy: -127.456
bonds (distance) P-C4' energy: -126.987
flat angles C4'-P-C4' energy: -144.903
flat angles P-C4'-P energy: -101.727
tors. eta vs tors. theta energy: -190.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2280.049656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.049656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.049656 (E_RNA)
where:
Base-Base interactions energy: -1612.446
where: short stacking energy: -643.316
Base-Backbone interact. energy: -1.436
local terms energy: -666.168000
where:
bonds (distance) C4'-P energy: -119.744
bonds (distance) P-C4' energy: -135.963
flat angles C4'-P-C4' energy: -139.762
flat angles P-C4'-P energy: -92.610
tors. eta vs tors. theta energy: -178.090
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: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2118.891410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.891410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.891410 (E_RNA)
where:
Base-Base interactions energy: -1461.905
where: short stacking energy: -633.966
Base-Backbone interact. energy: 0.503
local terms energy: -657.489069
where:
bonds (distance) C4'-P energy: -106.529
bonds (distance) P-C4' energy: -116.535
flat angles C4'-P-C4' energy: -142.764
flat angles P-C4'-P energy: -102.342
tors. eta vs tors. theta energy: -189.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2083.026633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.026633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.026633 (E_RNA)
where:
Base-Base interactions energy: -1395.800
where: short stacking energy: -611.209
Base-Backbone interact. energy: -2.863
local terms energy: -684.363310
where:
bonds (distance) C4'-P energy: -131.716
bonds (distance) P-C4' energy: -119.878
flat angles C4'-P-C4' energy: -148.979
flat angles P-C4'-P energy: -108.949
tors. eta vs tors. theta energy: -174.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2068.229232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.229232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.229232 (E_RNA)
where:
Base-Base interactions energy: -1462.385
where: short stacking energy: -590.359
Base-Backbone interact. energy: 0.916
local terms energy: -606.759814
where:
bonds (distance) C4'-P energy: -115.801
bonds (distance) P-C4' energy: -121.464
flat angles C4'-P-C4' energy: -134.627
flat angles P-C4'-P energy: -71.209
tors. eta vs tors. theta energy: -163.659
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: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1875.651632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.651632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.651632 (E_RNA)
where:
Base-Base interactions energy: -1261.345
where: short stacking energy: -557.491
Base-Backbone interact. energy: -2.116
local terms energy: -612.191125
where:
bonds (distance) C4'-P energy: -100.818
bonds (distance) P-C4' energy: -123.211
flat angles C4'-P-C4' energy: -134.249
flat angles P-C4'-P energy: -86.874
tors. eta vs tors. theta energy: -167.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1605.829677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.829677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.829677 (E_RNA)
where:
Base-Base interactions energy: -1050.386
where: short stacking energy: -450.222
Base-Backbone interact. energy: -0.023
local terms energy: -555.421320
where:
bonds (distance) C4'-P energy: -117.358
bonds (distance) P-C4' energy: -114.839
flat angles C4'-P-C4' energy: -126.204
flat angles P-C4'-P energy: -70.731
tors. eta vs tors. theta energy: -126.290
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: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1341.323915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.323915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.323915 (E_RNA)
where:
Base-Base interactions energy: -855.518
where: short stacking energy: -395.173
Base-Backbone interact. energy: 3.729
local terms energy: -489.534743
where:
bonds (distance) C4'-P energy: -102.773
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -123.479
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -70.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -971.506020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.506020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.506020 (E_RNA)
where:
Base-Base interactions energy: -546.205
where: short stacking energy: -290.835
Base-Backbone interact. energy: 2.879
local terms energy: -428.180045
where:
bonds (distance) C4'-P energy: -112.781
bonds (distance) P-C4' energy: -111.952
flat angles C4'-P-C4' energy: -107.082
flat angles P-C4'-P energy: -51.270
tors. eta vs tors. theta energy: -45.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -640.750292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.750292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.750292 (E_RNA)
where:
Base-Base interactions energy: -261.236
where: short stacking energy: -161.801
Base-Backbone interact. energy: -1.064
local terms energy: -378.450121
where:
bonds (distance) C4'-P energy: -95.068
bonds (distance) P-C4' energy: -119.993
flat angles C4'-P-C4' energy: -115.656
flat angles P-C4'-P energy: -55.514
tors. eta vs tors. theta energy: 7.781
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: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2377.133061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.133061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.133061 (E_RNA)
where:
Base-Base interactions energy: -1678.167
where: short stacking energy: -684.275
Base-Backbone interact. energy: -4.760
local terms energy: -694.206043
where:
bonds (distance) C4'-P energy: -127.338
bonds (distance) P-C4' energy: -132.285
flat angles C4'-P-C4' energy: -149.845
flat angles P-C4'-P energy: -100.344
tors. eta vs tors. theta energy: -184.394
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: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2278.936288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.936288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.936288 (E_RNA)
where:
Base-Base interactions energy: -1598.323
where: short stacking energy: -652.071
Base-Backbone interact. energy: -1.991
local terms energy: -678.622011
where:
bonds (distance) C4'-P energy: -125.032
bonds (distance) P-C4' energy: -133.749
flat angles C4'-P-C4' energy: -145.085
flat angles P-C4'-P energy: -90.435
tors. eta vs tors. theta energy: -184.322
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: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2120.917000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.917000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.917000 (E_RNA)
where:
Base-Base interactions energy: -1436.981
where: short stacking energy: -635.884
Base-Backbone interact. energy: 0.963
local terms energy: -684.898630
where:
bonds (distance) C4'-P energy: -114.478
bonds (distance) P-C4' energy: -134.541
flat angles C4'-P-C4' energy: -153.698
flat angles P-C4'-P energy: -101.892
tors. eta vs tors. theta energy: -180.290
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: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2046.317550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.317550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.317550 (E_RNA)
where:
Base-Base interactions energy: -1397.824
where: short stacking energy: -578.811
Base-Backbone interact. energy: 0.069
local terms energy: -648.561674
where:
bonds (distance) C4'-P energy: -125.607
bonds (distance) P-C4' energy: -134.738
flat angles C4'-P-C4' energy: -132.773
flat angles P-C4'-P energy: -90.921
tors. eta vs tors. theta energy: -164.523
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: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1996.247978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.247978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.247978 (E_RNA)
where:
Base-Base interactions energy: -1398.902
where: short stacking energy: -575.877
Base-Backbone interact. energy: -3.849
local terms energy: -593.497545
where:
bonds (distance) C4'-P energy: -86.240
bonds (distance) P-C4' energy: -117.919
flat angles C4'-P-C4' energy: -130.381
flat angles P-C4'-P energy: -93.847
tors. eta vs tors. theta energy: -165.110
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1874.358871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.358871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.358871 (E_RNA)
where:
Base-Base interactions energy: -1248.040
where: short stacking energy: -551.207
Base-Backbone interact. energy: 0.241
local terms energy: -626.559760
where:
bonds (distance) C4'-P energy: -120.147
bonds (distance) P-C4' energy: -112.471
flat angles C4'-P-C4' energy: -139.561
flat angles P-C4'-P energy: -88.736
tors. eta vs tors. theta energy: -165.645
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: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1618.949192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.949192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.949192 (E_RNA)
where:
Base-Base interactions energy: -1092.725
where: short stacking energy: -467.372
Base-Backbone interact. energy: -1.856
local terms energy: -524.368178
where:
bonds (distance) C4'-P energy: -81.934
bonds (distance) P-C4' energy: -124.957
flat angles C4'-P-C4' energy: -116.766
flat angles P-C4'-P energy: -86.901
tors. eta vs tors. theta energy: -113.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1356.076483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.076483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.076483 (E_RNA)
where:
Base-Base interactions energy: -880.238
where: short stacking energy: -422.360
Base-Backbone interact. energy: -0.467
local terms energy: -475.371347
where:
bonds (distance) C4'-P energy: -101.516
bonds (distance) P-C4' energy: -124.613
flat angles C4'-P-C4' energy: -94.201
flat angles P-C4'-P energy: -70.517
tors. eta vs tors. theta energy: -84.525
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: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -921.197657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.197657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.197657 (E_RNA)
where:
Base-Base interactions energy: -509.567
where: short stacking energy: -252.987
Base-Backbone interact. energy: -2.043
local terms energy: -409.587530
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -112.852
flat angles C4'-P-C4' energy: -93.226
flat angles P-C4'-P energy: -66.446
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -592.755818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.755818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.755818 (E_RNA)
where:
Base-Base interactions energy: -283.487
where: short stacking energy: -188.331
Base-Backbone interact. energy: -2.536
local terms energy: -306.732961
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -92.212
flat angles C4'-P-C4' energy: -75.944
flat angles P-C4'-P energy: -58.051
tors. eta vs tors. theta energy: 7.618
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: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2363.812967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.812967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.812967 (E_RNA)
where:
Base-Base interactions energy: -1642.211
where: short stacking energy: -661.034
Base-Backbone interact. energy: -1.828
local terms energy: -719.774012
where:
bonds (distance) C4'-P energy: -150.069
bonds (distance) P-C4' energy: -137.372
flat angles C4'-P-C4' energy: -148.116
flat angles P-C4'-P energy: -98.137
tors. eta vs tors. theta energy: -186.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2289.976797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.976797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.976797 (E_RNA)
where:
Base-Base interactions energy: -1593.003
where: short stacking energy: -638.000
Base-Backbone interact. energy: -4.024
local terms energy: -692.950385
where:
bonds (distance) C4'-P energy: -135.758
bonds (distance) P-C4' energy: -138.661
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -104.554
tors. eta vs tors. theta energy: -173.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2140.829318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.829318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.829318 (E_RNA)
where:
Base-Base interactions energy: -1456.618
where: short stacking energy: -617.907
Base-Backbone interact. energy: -1.480
local terms energy: -682.731195
where:
bonds (distance) C4'-P energy: -121.433
bonds (distance) P-C4' energy: -132.826
flat angles C4'-P-C4' energy: -148.204
flat angles P-C4'-P energy: -99.572
tors. eta vs tors. theta energy: -180.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2106.003001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.003001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.003001 (E_RNA)
where:
Base-Base interactions energy: -1449.455
where: short stacking energy: -606.428
Base-Backbone interact. energy: -0.974
local terms energy: -655.574079
where:
bonds (distance) C4'-P energy: -111.530
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -134.500
flat angles P-C4'-P energy: -99.772
tors. eta vs tors. theta energy: -185.522
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: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1920.432215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.432215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.432215 (E_RNA)
where:
Base-Base interactions energy: -1279.998
where: short stacking energy: -578.594
Base-Backbone interact. energy: -2.861
local terms energy: -637.574081
where:
bonds (distance) C4'-P energy: -119.820
bonds (distance) P-C4' energy: -106.939
flat angles C4'-P-C4' energy: -141.106
flat angles P-C4'-P energy: -87.440
tors. eta vs tors. theta energy: -182.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1933.922427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.922427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.922427 (E_RNA)
where:
Base-Base interactions energy: -1357.186
where: short stacking energy: -566.139
Base-Backbone interact. energy: 0.078
local terms energy: -576.815005
where:
bonds (distance) C4'-P energy: -112.726
bonds (distance) P-C4' energy: -103.331
flat angles C4'-P-C4' energy: -139.992
flat angles P-C4'-P energy: -72.854
tors. eta vs tors. theta energy: -147.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1613.821040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.821040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.821040 (E_RNA)
where:
Base-Base interactions energy: -1069.119
where: short stacking energy: -472.024
Base-Backbone interact. energy: -2.071
local terms energy: -542.631490
where:
bonds (distance) C4'-P energy: -112.858
bonds (distance) P-C4' energy: -114.521
flat angles C4'-P-C4' energy: -127.398
flat angles P-C4'-P energy: -59.874
tors. eta vs tors. theta energy: -127.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1336.360251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.360251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.360251 (E_RNA)
where:
Base-Base interactions energy: -858.290
where: short stacking energy: -379.240
Base-Backbone interact. energy: 0.140
local terms energy: -478.210319
where:
bonds (distance) C4'-P energy: -130.615
bonds (distance) P-C4' energy: -111.713
flat angles C4'-P-C4' energy: -96.000
flat angles P-C4'-P energy: -58.740
tors. eta vs tors. theta energy: -81.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1017.665359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.665359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.665359 (E_RNA)
where:
Base-Base interactions energy: -565.679
where: short stacking energy: -263.021
Base-Backbone interact. energy: -3.379
local terms energy: -448.607231
where:
bonds (distance) C4'-P energy: -102.634
bonds (distance) P-C4' energy: -126.317
flat angles C4'-P-C4' energy: -115.925
flat angles P-C4'-P energy: -67.132
tors. eta vs tors. theta energy: -36.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -609.115282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.115282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.115282 (E_RNA)
where:
Base-Base interactions energy: -267.318
where: short stacking energy: -174.879
Base-Backbone interact. energy: -2.903
local terms energy: -338.894039
where:
bonds (distance) C4'-P energy: -105.975
bonds (distance) P-C4' energy: -103.645
flat angles C4'-P-C4' energy: -86.020
flat angles P-C4'-P energy: -53.013
tors. eta vs tors. theta energy: 9.759
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: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2408.209222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.209222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.209222 (E_RNA)
where:
Base-Base interactions energy: -1688.701
where: short stacking energy: -675.356
Base-Backbone interact. energy: -2.683
local terms energy: -716.825995
where:
bonds (distance) C4'-P energy: -135.606
bonds (distance) P-C4' energy: -132.984
flat angles C4'-P-C4' energy: -150.440
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -188.696
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: 429
Temperature: 0.950000
Total energy: -2277.893339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.893339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.893339 (E_RNA)
where:
Base-Base interactions energy: -1595.664
where: short stacking energy: -660.697
Base-Backbone interact. energy: 0.379
local terms energy: -682.608546
where:
bonds (distance) C4'-P energy: -127.541
bonds (distance) P-C4' energy: -133.845
flat angles C4'-P-C4' energy: -145.754
flat angles P-C4'-P energy: -101.567
tors. eta vs tors. theta energy: -173.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2150.981936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.981936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.981936 (E_RNA)
where:
Base-Base interactions energy: -1480.606
where: short stacking energy: -614.912
Base-Backbone interact. energy: -1.148
local terms energy: -669.227855
where:
bonds (distance) C4'-P energy: -123.727
bonds (distance) P-C4' energy: -119.999
flat angles C4'-P-C4' energy: -151.400
flat angles P-C4'-P energy: -89.965
tors. eta vs tors. theta energy: -184.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2108.718289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.718289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.718289 (E_RNA)
where:
Base-Base interactions energy: -1456.498
where: short stacking energy: -621.989
Base-Backbone interact. energy: -0.044
local terms energy: -652.176723
where:
bonds (distance) C4'-P energy: -122.787
bonds (distance) P-C4' energy: -130.261
flat angles C4'-P-C4' energy: -134.440
flat angles P-C4'-P energy: -87.275
tors. eta vs tors. theta energy: -177.413
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: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1968.423734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.423734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.423734 (E_RNA)
where:
Base-Base interactions energy: -1341.275
where: short stacking energy: -592.355
Base-Backbone interact. energy: 1.582
local terms energy: -628.730445
where:
bonds (distance) C4'-P energy: -111.174
bonds (distance) P-C4' energy: -119.872
flat angles C4'-P-C4' energy: -132.930
flat angles P-C4'-P energy: -90.774
tors. eta vs tors. theta energy: -173.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1816.605508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.605508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.605508 (E_RNA)
where:
Base-Base interactions energy: -1237.339
where: short stacking energy: -493.643
Base-Backbone interact. energy: 0.846
local terms energy: -580.112910
where:
bonds (distance) C4'-P energy: -105.051
bonds (distance) P-C4' energy: -113.973
flat angles C4'-P-C4' energy: -119.275
flat angles P-C4'-P energy: -93.901
tors. eta vs tors. theta energy: -147.914
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: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1636.555370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.555370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.555370 (E_RNA)
where:
Base-Base interactions energy: -1081.665
where: short stacking energy: -478.596
Base-Backbone interact. energy: -0.019
local terms energy: -554.870613
where:
bonds (distance) C4'-P energy: -133.233
bonds (distance) P-C4' energy: -98.130
flat angles C4'-P-C4' energy: -126.755
flat angles P-C4'-P energy: -79.925
tors. eta vs tors. theta energy: -116.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1406.893663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.893663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.893663 (E_RNA)
where:
Base-Base interactions energy: -937.175
where: short stacking energy: -404.869
Base-Backbone interact. energy: 4.356
local terms energy: -474.074885
where:
bonds (distance) C4'-P energy: -113.278
bonds (distance) P-C4' energy: -118.580
flat angles C4'-P-C4' energy: -101.689
flat angles P-C4'-P energy: -66.746
tors. eta vs tors. theta energy: -73.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -992.348398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.348398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.348398 (E_RNA)
where:
Base-Base interactions energy: -575.009
where: short stacking energy: -295.558
Base-Backbone interact. energy: 4.270
local terms energy: -421.609440
where:
bonds (distance) C4'-P energy: -95.411
bonds (distance) P-C4' energy: -120.345
flat angles C4'-P-C4' energy: -116.774
flat angles P-C4'-P energy: -46.095
tors. eta vs tors. theta energy: -42.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -628.219860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.219860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.219860 (E_RNA)
where:
Base-Base interactions energy: -285.293
where: short stacking energy: -187.002
Base-Backbone interact. energy: 0.804
local terms energy: -343.730821
where:
bonds (distance) C4'-P energy: -93.660
bonds (distance) P-C4' energy: -105.323
flat angles C4'-P-C4' energy: -79.255
flat angles P-C4'-P energy: -63.362
tors. eta vs tors. theta energy: -2.131
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: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2393.955425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.955425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.955425 (E_RNA)
where:
Base-Base interactions energy: -1696.998
where: short stacking energy: -683.602
Base-Backbone interact. energy: -1.784
local terms energy: -695.173759
where:
bonds (distance) C4'-P energy: -114.266
bonds (distance) P-C4' energy: -135.950
flat angles C4'-P-C4' energy: -149.238
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -190.762
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: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2266.202554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.202554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.202554 (E_RNA)
where:
Base-Base interactions energy: -1583.382
where: short stacking energy: -630.850
Base-Backbone interact. energy: -1.405
local terms energy: -681.415294
where:
bonds (distance) C4'-P energy: -126.383
bonds (distance) P-C4' energy: -140.354
flat angles C4'-P-C4' energy: -142.425
flat angles P-C4'-P energy: -94.718
tors. eta vs tors. theta energy: -177.536
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: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2134.783450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.783450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.783450 (E_RNA)
where:
Base-Base interactions energy: -1444.994
where: short stacking energy: -646.396
Base-Backbone interact. energy: -3.055
local terms energy: -686.734914
where:
bonds (distance) C4'-P energy: -123.618
bonds (distance) P-C4' energy: -144.366
flat angles C4'-P-C4' energy: -143.682
flat angles P-C4'-P energy: -90.560
tors. eta vs tors. theta energy: -184.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2104.521653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.521653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.521653 (E_RNA)
where:
Base-Base interactions energy: -1418.491
where: short stacking energy: -604.144
Base-Backbone interact. energy: -0.090
local terms energy: -685.940460
where:
bonds (distance) C4'-P energy: -133.037
bonds (distance) P-C4' energy: -123.605
flat angles C4'-P-C4' energy: -146.499
flat angles P-C4'-P energy: -100.613
tors. eta vs tors. theta energy: -182.186
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: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1950.894433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.894433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.894433 (E_RNA)
where:
Base-Base interactions energy: -1304.205
where: short stacking energy: -553.827
Base-Backbone interact. energy: 0.337
local terms energy: -647.026417
where:
bonds (distance) C4'-P energy: -122.677
bonds (distance) P-C4' energy: -130.342
flat angles C4'-P-C4' energy: -132.373
flat angles P-C4'-P energy: -95.366
tors. eta vs tors. theta energy: -166.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1807.007277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.007277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.007277 (E_RNA)
where:
Base-Base interactions energy: -1259.492
where: short stacking energy: -510.823
Base-Backbone interact. energy: 7.776
local terms energy: -555.290621
where:
bonds (distance) C4'-P energy: -114.378
bonds (distance) P-C4' energy: -117.256
flat angles C4'-P-C4' energy: -119.991
flat angles P-C4'-P energy: -57.199
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: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1612.658375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.658375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.658375 (E_RNA)
where:
Base-Base interactions energy: -1076.378
where: short stacking energy: -494.859
Base-Backbone interact. energy: -0.956
local terms energy: -535.324839
where:
bonds (distance) C4'-P energy: -115.101
bonds (distance) P-C4' energy: -97.745
flat angles C4'-P-C4' energy: -122.191
flat angles P-C4'-P energy: -86.674
tors. eta vs tors. theta energy: -113.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1415.635241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.635241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.635241 (E_RNA)
where:
Base-Base interactions energy: -915.318
where: short stacking energy: -406.300
Base-Backbone interact. energy: -1.191
local terms energy: -499.126516
where:
bonds (distance) C4'-P energy: -109.213
bonds (distance) P-C4' energy: -116.941
flat angles C4'-P-C4' energy: -126.278
flat angles P-C4'-P energy: -60.493
tors. eta vs tors. theta energy: -86.201
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: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1001.527168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.527168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.527168 (E_RNA)
where:
Base-Base interactions energy: -594.673
where: short stacking energy: -294.882
Base-Backbone interact. energy: -1.223
local terms energy: -405.631362
where:
bonds (distance) C4'-P energy: -87.718
bonds (distance) P-C4' energy: -104.899
flat angles C4'-P-C4' energy: -120.834
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -40.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -614.177327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.177327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.177327 (E_RNA)
where:
Base-Base interactions energy: -279.906
where: short stacking energy: -186.354
Base-Backbone interact. energy: 6.018
local terms energy: -340.289508
where:
bonds (distance) C4'-P energy: -89.906
bonds (distance) P-C4' energy: -97.351
flat angles C4'-P-C4' energy: -98.250
flat angles P-C4'-P energy: -69.726
tors. eta vs tors. theta energy: 14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2382.532281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.532281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.532281 (E_RNA)
where:
Base-Base interactions energy: -1672.586
where: short stacking energy: -676.947
Base-Backbone interact. energy: -4.128
local terms energy: -705.818097
where:
bonds (distance) C4'-P energy: -140.645
bonds (distance) P-C4' energy: -125.568
flat angles C4'-P-C4' energy: -154.269
flat angles P-C4'-P energy: -103.611
tors. eta vs tors. theta energy: -181.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2270.857824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.857824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.857824 (E_RNA)
where:
Base-Base interactions energy: -1593.606
where: short stacking energy: -651.767
Base-Backbone interact. energy: -3.333
local terms energy: -673.918215
where:
bonds (distance) C4'-P energy: -132.754
bonds (distance) P-C4' energy: -121.377
flat angles C4'-P-C4' energy: -140.121
flat angles P-C4'-P energy: -99.793
tors. eta vs tors. theta energy: -179.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2164.763940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.763940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.763940 (E_RNA)
where:
Base-Base interactions energy: -1466.124
where: short stacking energy: -643.739
Base-Backbone interact. energy: -1.125
local terms energy: -697.515174
where:
bonds (distance) C4'-P energy: -124.378
bonds (distance) P-C4' energy: -134.184
flat angles C4'-P-C4' energy: -143.335
flat angles P-C4'-P energy: -100.099
tors. eta vs tors. theta energy: -195.520
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: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2095.684018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.684018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.684018 (E_RNA)
where:
Base-Base interactions energy: -1431.880
where: short stacking energy: -631.671
Base-Backbone interact. energy: -0.799
local terms energy: -663.004634
where:
bonds (distance) C4'-P energy: -105.474
bonds (distance) P-C4' energy: -130.105
flat angles C4'-P-C4' energy: -146.019
flat angles P-C4'-P energy: -92.277
tors. eta vs tors. theta energy: -189.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1941.439611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.439611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.439611 (E_RNA)
where:
Base-Base interactions energy: -1334.796
where: short stacking energy: -577.954
Base-Backbone interact. energy: -1.185
local terms energy: -605.458871
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -118.848
flat angles C4'-P-C4' energy: -136.967
flat angles P-C4'-P energy: -82.131
tors. eta vs tors. theta energy: -167.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1841.760214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.760214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.760214 (E_RNA)
where:
Base-Base interactions energy: -1283.876
where: short stacking energy: -508.378
Base-Backbone interact. energy: -0.036
local terms energy: -557.848902
where:
bonds (distance) C4'-P energy: -113.892
bonds (distance) P-C4' energy: -98.260
flat angles C4'-P-C4' energy: -132.824
flat angles P-C4'-P energy: -80.990
tors. eta vs tors. theta energy: -131.882
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: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1587.536151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.536151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.536151 (E_RNA)
where:
Base-Base interactions energy: -1071.514
where: short stacking energy: -501.883
Base-Backbone interact. energy: -2.174
local terms energy: -513.848258
where:
bonds (distance) C4'-P energy: -92.444
bonds (distance) P-C4' energy: -120.417
flat angles C4'-P-C4' energy: -110.431
flat angles P-C4'-P energy: -65.856
tors. eta vs tors. theta energy: -124.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1439.964878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.964878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.964878 (E_RNA)
where:
Base-Base interactions energy: -948.954
where: short stacking energy: -403.188
Base-Backbone interact. energy: 0.791
local terms energy: -491.802259
where:
bonds (distance) C4'-P energy: -102.268
bonds (distance) P-C4' energy: -118.434
flat angles C4'-P-C4' energy: -104.219
flat angles P-C4'-P energy: -78.721
tors. eta vs tors. theta energy: -88.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1060.821759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.821759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.821759 (E_RNA)
where:
Base-Base interactions energy: -613.252
where: short stacking energy: -287.957
Base-Backbone interact. energy: -1.223
local terms energy: -446.346536
where:
bonds (distance) C4'-P energy: -118.777
bonds (distance) P-C4' energy: -122.374
flat angles C4'-P-C4' energy: -101.861
flat angles P-C4'-P energy: -63.587
tors. eta vs tors. theta energy: -39.748
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: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -684.560956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.560956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.560956 (E_RNA)
where:
Base-Base interactions energy: -333.294
where: short stacking energy: -218.461
Base-Backbone interact. energy: 0.929
local terms energy: -352.195988
where:
bonds (distance) C4'-P energy: -87.148
bonds (distance) P-C4' energy: -104.125
flat angles C4'-P-C4' energy: -101.770
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: 2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2374.191118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.191118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.191118 (E_RNA)
where:
Base-Base interactions energy: -1687.521
where: short stacking energy: -669.884
Base-Backbone interact. energy: -4.883
local terms energy: -681.787248
where:
bonds (distance) C4'-P energy: -135.309
bonds (distance) P-C4' energy: -123.840
flat angles C4'-P-C4' energy: -138.488
flat angles P-C4'-P energy: -95.729
tors. eta vs tors. theta energy: -188.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2288.338299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.338299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.338299 (E_RNA)
where:
Base-Base interactions energy: -1601.220
where: short stacking energy: -658.554
Base-Backbone interact. energy: -1.159
local terms energy: -685.959260
where:
bonds (distance) C4'-P energy: -126.666
bonds (distance) P-C4' energy: -128.528
flat angles C4'-P-C4' energy: -139.592
flat angles P-C4'-P energy: -99.274
tors. eta vs tors. theta energy: -191.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2150.924018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.924018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.924018 (E_RNA)
where:
Base-Base interactions energy: -1480.502
where: short stacking energy: -643.926
Base-Backbone interact. energy: -1.057
local terms energy: -669.364907
where:
bonds (distance) C4'-P energy: -126.159
bonds (distance) P-C4' energy: -117.218
flat angles C4'-P-C4' energy: -147.705
flat angles P-C4'-P energy: -80.859
tors. eta vs tors. theta energy: -197.424
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: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2118.150742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.150742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.150742 (E_RNA)
where:
Base-Base interactions energy: -1443.911
where: short stacking energy: -621.708
Base-Backbone interact. energy: -4.214
local terms energy: -670.025619
where:
bonds (distance) C4'-P energy: -140.107
bonds (distance) P-C4' energy: -109.698
flat angles C4'-P-C4' energy: -141.902
flat angles P-C4'-P energy: -82.424
tors. eta vs tors. theta energy: -195.895
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1944.956317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.956317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.956317 (E_RNA)
where:
Base-Base interactions energy: -1289.199
where: short stacking energy: -556.742
Base-Backbone interact. energy: 0.082
local terms energy: -655.838943
where:
bonds (distance) C4'-P energy: -121.297
bonds (distance) P-C4' energy: -122.848
flat angles C4'-P-C4' energy: -145.623
flat angles P-C4'-P energy: -98.046
tors. eta vs tors. theta energy: -168.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1778.485625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.485625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.485625 (E_RNA)
where:
Base-Base interactions energy: -1208.607
where: short stacking energy: -481.959
Base-Backbone interact. energy: -1.461
local terms energy: -568.417595
where:
bonds (distance) C4'-P energy: -112.141
bonds (distance) P-C4' energy: -128.963
flat angles C4'-P-C4' energy: -128.717
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -125.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1536.710623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.710623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.710623 (E_RNA)
where:
Base-Base interactions energy: -1010.544
where: short stacking energy: -440.860
Base-Backbone interact. energy: -2.926
local terms energy: -523.240505
where:
bonds (distance) C4'-P energy: -99.774
bonds (distance) P-C4' energy: -118.583
flat angles C4'-P-C4' energy: -130.570
flat angles P-C4'-P energy: -71.075
tors. eta vs tors. theta energy: -103.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1452.371215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.371215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.371215 (E_RNA)
where:
Base-Base interactions energy: -961.175
where: short stacking energy: -385.609
Base-Backbone interact. energy: 1.343
local terms energy: -492.539868
where:
bonds (distance) C4'-P energy: -106.483
bonds (distance) P-C4' energy: -114.287
flat angles C4'-P-C4' energy: -107.551
flat angles P-C4'-P energy: -69.927
tors. eta vs tors. theta energy: -94.293
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: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1002.769182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.769182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.769182 (E_RNA)
where:
Base-Base interactions energy: -580.363
where: short stacking energy: -258.232
Base-Backbone interact. energy: 2.297
local terms energy: -424.703891
where:
bonds (distance) C4'-P energy: -112.925
bonds (distance) P-C4' energy: -119.627
flat angles C4'-P-C4' energy: -106.098
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -28.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -652.680923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.680923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.680923 (E_RNA)
where:
Base-Base interactions energy: -338.809
where: short stacking energy: -200.248
Base-Backbone interact. energy: -1.722
local terms energy: -312.149975
where:
bonds (distance) C4'-P energy: -78.416
bonds (distance) P-C4' energy: -108.349
flat angles C4'-P-C4' energy: -98.673
flat angles P-C4'-P energy: -37.847
tors. eta vs tors. theta energy: 11.135
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: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2387.322283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.322283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.322283 (E_RNA)
where:
Base-Base interactions energy: -1678.123
where: short stacking energy: -660.585
Base-Backbone interact. energy: 0.966
local terms energy: -710.165305
where:
bonds (distance) C4'-P energy: -132.656
bonds (distance) P-C4' energy: -138.598
flat angles C4'-P-C4' energy: -150.111
flat angles P-C4'-P energy: -109.448
tors. eta vs tors. theta energy: -179.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2271.467541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.467541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.467541 (E_RNA)
where:
Base-Base interactions energy: -1596.118
where: short stacking energy: -642.372
Base-Backbone interact. energy: -3.377
local terms energy: -671.972493
where:
bonds (distance) C4'-P energy: -126.711
bonds (distance) P-C4' energy: -140.754
flat angles C4'-P-C4' energy: -140.050
flat angles P-C4'-P energy: -83.723
tors. eta vs tors. theta energy: -180.735
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: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2165.421869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.421869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.421869 (E_RNA)
where:
Base-Base interactions energy: -1468.087
where: short stacking energy: -641.320
Base-Backbone interact. energy: -1.953
local terms energy: -695.381707
where:
bonds (distance) C4'-P energy: -130.253
bonds (distance) P-C4' energy: -135.968
flat angles C4'-P-C4' energy: -146.623
flat angles P-C4'-P energy: -87.439
tors. eta vs tors. theta energy: -195.099
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2089.192929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.192929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.192929 (E_RNA)
where:
Base-Base interactions energy: -1441.312
where: short stacking energy: -621.885
Base-Backbone interact. energy: -1.927
local terms energy: -645.953994
where:
bonds (distance) C4'-P energy: -125.777
bonds (distance) P-C4' energy: -108.088
flat angles C4'-P-C4' energy: -144.746
flat angles P-C4'-P energy: -82.551
tors. eta vs tors. theta energy: -184.791
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: 433
Temperature: 1.100000
Total energy: -1949.276949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.276949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.276949 (E_RNA)
where:
Base-Base interactions energy: -1352.485
where: short stacking energy: -598.273
Base-Backbone interact. energy: -1.862
local terms energy: -594.929855
where:
bonds (distance) C4'-P energy: -111.038
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -121.376
flat angles P-C4'-P energy: -82.836
tors. eta vs tors. theta energy: -166.538
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: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1778.387452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.387452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.387452 (E_RNA)
where:
Base-Base interactions energy: -1190.372
where: short stacking energy: -488.716
Base-Backbone interact. energy: 3.128
local terms energy: -591.144010
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -124.691
flat angles P-C4'-P energy: -84.549
tors. eta vs tors. theta energy: -135.681
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: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1560.819298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.819298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.819298 (E_RNA)
where:
Base-Base interactions energy: -1057.484
where: short stacking energy: -468.580
Base-Backbone interact. energy: 3.201
local terms energy: -506.535882
where:
bonds (distance) C4'-P energy: -91.495
bonds (distance) P-C4' energy: -96.342
flat angles C4'-P-C4' energy: -129.966
flat angles P-C4'-P energy: -80.791
tors. eta vs tors. theta energy: -107.942
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: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1472.911421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.911421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.911421 (E_RNA)
where:
Base-Base interactions energy: -968.279
where: short stacking energy: -428.855
Base-Backbone interact. energy: 0.488
local terms energy: -505.120897
where:
bonds (distance) C4'-P energy: -110.890
bonds (distance) P-C4' energy: -102.220
flat angles C4'-P-C4' energy: -120.288
flat angles P-C4'-P energy: -71.404
tors. eta vs tors. theta energy: -100.319
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -992.000578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.000578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.000578 (E_RNA)
where:
Base-Base interactions energy: -568.060
where: short stacking energy: -285.040
Base-Backbone interact. energy: -0.599
local terms energy: -423.341285
where:
bonds (distance) C4'-P energy: -86.179
bonds (distance) P-C4' energy: -114.829
flat angles C4'-P-C4' energy: -105.594
flat angles P-C4'-P energy: -68.908
tors. eta vs tors. theta energy: -47.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -616.091476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.091476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.091476 (E_RNA)
where:
Base-Base interactions energy: -298.996
where: short stacking energy: -194.947
Base-Backbone interact. energy: 1.118
local terms energy: -318.212794
where:
bonds (distance) C4'-P energy: -94.755
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: 15.223
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: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2385.860871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.860871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.860871 (E_RNA)
where:
Base-Base interactions energy: -1678.118
where: short stacking energy: -671.355
Base-Backbone interact. energy: -3.028
local terms energy: -704.714461
where:
bonds (distance) C4'-P energy: -129.715
bonds (distance) P-C4' energy: -134.426
flat angles C4'-P-C4' energy: -150.175
flat angles P-C4'-P energy: -109.283
tors. eta vs tors. theta energy: -181.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2278.350688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.350688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.350688 (E_RNA)
where:
Base-Base interactions energy: -1611.451
where: short stacking energy: -650.639
Base-Backbone interact. energy: -0.934
local terms energy: -665.965624
where:
bonds (distance) C4'-P energy: -128.677
bonds (distance) P-C4' energy: -131.466
flat angles C4'-P-C4' energy: -133.126
flat angles P-C4'-P energy: -95.130
tors. eta vs tors. theta energy: -177.566
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2144.330108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.330108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.330108 (E_RNA)
where:
Base-Base interactions energy: -1472.888
where: short stacking energy: -643.217
Base-Backbone interact. energy: -2.569
local terms energy: -668.872475
where:
bonds (distance) C4'-P energy: -128.856
bonds (distance) P-C4' energy: -121.983
flat angles C4'-P-C4' energy: -140.498
flat angles P-C4'-P energy: -80.419
tors. eta vs tors. theta energy: -197.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2093.700914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.700914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.700914 (E_RNA)
where:
Base-Base interactions energy: -1431.604
where: short stacking energy: -625.312
Base-Backbone interact. energy: -1.415
local terms energy: -660.681848
where:
bonds (distance) C4'-P energy: -118.983
bonds (distance) P-C4' energy: -126.282
flat angles C4'-P-C4' energy: -137.512
flat angles P-C4'-P energy: -102.143
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: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1935.264828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.264828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.264828 (E_RNA)
where:
Base-Base interactions energy: -1326.142
where: short stacking energy: -598.417
Base-Backbone interact. energy: -1.179
local terms energy: -607.943814
where:
bonds (distance) C4'-P energy: -120.382
bonds (distance) P-C4' energy: -108.182
flat angles C4'-P-C4' energy: -130.098
flat angles P-C4'-P energy: -74.956
tors. eta vs tors. theta energy: -174.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1821.737089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.737089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.737089 (E_RNA)
where:
Base-Base interactions energy: -1254.005
where: short stacking energy: -536.458
Base-Backbone interact. energy: -0.266
local terms energy: -567.465793
where:
bonds (distance) C4'-P energy: -112.940
bonds (distance) P-C4' energy: -113.129
flat angles C4'-P-C4' energy: -118.688
flat angles P-C4'-P energy: -78.395
tors. eta vs tors. theta energy: -144.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1614.872645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.872645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.872645 (E_RNA)
where:
Base-Base interactions energy: -1077.360
where: short stacking energy: -477.575
Base-Backbone interact. energy: -0.032
local terms energy: -537.480134
where:
bonds (distance) C4'-P energy: -110.635
bonds (distance) P-C4' energy: -112.179
flat angles C4'-P-C4' energy: -110.645
flat angles P-C4'-P energy: -78.178
tors. eta vs tors. theta energy: -125.843
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: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1477.890081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.890081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.890081 (E_RNA)
where:
Base-Base interactions energy: -935.726
where: short stacking energy: -428.749
Base-Backbone interact. energy: -3.681
local terms energy: -538.483335
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -122.387
flat angles C4'-P-C4' energy: -131.881
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -112.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -975.334144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.334144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.334144 (E_RNA)
where:
Base-Base interactions energy: -583.294
where: short stacking energy: -280.473
Base-Backbone interact. energy: -3.721
local terms energy: -388.319083
where:
bonds (distance) C4'-P energy: -100.757
bonds (distance) P-C4' energy: -112.571
flat angles C4'-P-C4' energy: -110.745
flat angles P-C4'-P energy: -42.482
tors. eta vs tors. theta energy: -21.765
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -616.795651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.795651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.795651 (E_RNA)
where:
Base-Base interactions energy: -295.421
where: short stacking energy: -153.147
Base-Backbone interact. energy: -1.286
local terms energy: -320.087857
where:
bonds (distance) C4'-P energy: -109.786
bonds (distance) P-C4' energy: -116.916
flat angles C4'-P-C4' energy: -87.247
flat angles P-C4'-P energy: -46.794
tors. eta vs tors. theta energy: 40.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2377.593500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.593500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.593500 (E_RNA)
where:
Base-Base interactions energy: -1699.210
where: short stacking energy: -674.339
Base-Backbone interact. energy: -4.921
local terms energy: -673.462069
where:
bonds (distance) C4'-P energy: -111.205
bonds (distance) P-C4' energy: -130.592
flat angles C4'-P-C4' energy: -149.706
flat angles P-C4'-P energy: -100.907
tors. eta vs tors. theta energy: -181.052
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: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2255.933873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.933873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.933873 (E_RNA)
where:
Base-Base interactions energy: -1562.589
where: short stacking energy: -625.816
Base-Backbone interact. energy: -1.154
local terms energy: -692.190350
where:
bonds (distance) C4'-P energy: -145.262
bonds (distance) P-C4' energy: -123.578
flat angles C4'-P-C4' energy: -149.537
flat angles P-C4'-P energy: -101.403
tors. eta vs tors. theta energy: -172.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2122.300566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.300566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.300566 (E_RNA)
where:
Base-Base interactions energy: -1450.940
where: short stacking energy: -638.794
Base-Backbone interact. energy: -2.684
local terms energy: -668.677241
where:
bonds (distance) C4'-P energy: -106.684
bonds (distance) P-C4' energy: -122.777
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -198.643
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: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2129.922028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.922028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.922028 (E_RNA)
where:
Base-Base interactions energy: -1467.334
where: short stacking energy: -654.135
Base-Backbone interact. energy: -1.604
local terms energy: -660.983473
where:
bonds (distance) C4'-P energy: -119.639
bonds (distance) P-C4' energy: -123.761
flat angles C4'-P-C4' energy: -135.867
flat angles P-C4'-P energy: -97.665
tors. eta vs tors. theta energy: -184.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1964.505669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.505669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.505669 (E_RNA)
where:
Base-Base interactions energy: -1324.696
where: short stacking energy: -578.120
Base-Backbone interact. energy: -2.288
local terms energy: -637.522046
where:
bonds (distance) C4'-P energy: -102.317
bonds (distance) P-C4' energy: -144.182
flat angles C4'-P-C4' energy: -125.719
flat angles P-C4'-P energy: -90.369
tors. eta vs tors. theta energy: -174.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1764.017074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.017074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.017074 (E_RNA)
where:
Base-Base interactions energy: -1206.259
where: short stacking energy: -503.796
Base-Backbone interact. energy: 1.762
local terms energy: -559.520816
where:
bonds (distance) C4'-P energy: -116.999
bonds (distance) P-C4' energy: -97.739
flat angles C4'-P-C4' energy: -137.769
flat angles P-C4'-P energy: -77.890
tors. eta vs tors. theta energy: -129.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1753.725056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.725056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.725056 (E_RNA)
where:
Base-Base interactions energy: -1201.789
where: short stacking energy: -526.868
Base-Backbone interact. energy: -0.674
local terms energy: -551.261750
where:
bonds (distance) C4'-P energy: -112.310
bonds (distance) P-C4' energy: -112.095
flat angles C4'-P-C4' energy: -118.047
flat angles P-C4'-P energy: -76.099
tors. eta vs tors. theta energy: -132.710
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: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1510.409831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.409831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.409831 (E_RNA)
where:
Base-Base interactions energy: -998.501
where: short stacking energy: -447.638
Base-Backbone interact. energy: 3.736
local terms energy: -515.644497
where:
bonds (distance) C4'-P energy: -119.528
bonds (distance) P-C4' energy: -107.697
flat angles C4'-P-C4' energy: -113.327
flat angles P-C4'-P energy: -72.881
tors. eta vs tors. theta energy: -102.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -929.707068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.707068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.707068 (E_RNA)
where:
Base-Base interactions energy: -510.363
where: short stacking energy: -245.229
Base-Backbone interact. energy: -2.846
local terms energy: -416.498550
where:
bonds (distance) C4'-P energy: -109.945
bonds (distance) P-C4' energy: -119.507
flat angles C4'-P-C4' energy: -89.505
flat angles P-C4'-P energy: -80.202
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -600.210030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.210030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.210030 (E_RNA)
where:
Base-Base interactions energy: -240.779
where: short stacking energy: -164.313
Base-Backbone interact. energy: -2.369
local terms energy: -357.062504
where:
bonds (distance) C4'-P energy: -103.881
bonds (distance) P-C4' energy: -123.276
flat angles C4'-P-C4' energy: -74.799
flat angles P-C4'-P energy: -73.100
tors. eta vs tors. theta energy: 17.994
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: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2370.552648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.552648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.552648 (E_RNA)
where:
Base-Base interactions energy: -1687.438
where: short stacking energy: -688.077
Base-Backbone interact. energy: -4.930
local terms energy: -678.184182
where:
bonds (distance) C4'-P energy: -126.316
bonds (distance) P-C4' energy: -132.701
flat angles C4'-P-C4' energy: -145.423
flat angles P-C4'-P energy: -97.603
tors. eta vs tors. theta energy: -176.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2298.126453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.126453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.126453 (E_RNA)
where:
Base-Base interactions energy: -1618.006
where: short stacking energy: -650.050
Base-Backbone interact. energy: 3.013
local terms energy: -683.133218
where:
bonds (distance) C4'-P energy: -121.233
bonds (distance) P-C4' energy: -136.448
flat angles C4'-P-C4' energy: -139.853
flat angles P-C4'-P energy: -106.860
tors. eta vs tors. theta energy: -178.739
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: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2169.440339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.440339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.440339 (E_RNA)
where:
Base-Base interactions energy: -1487.444
where: short stacking energy: -638.561
Base-Backbone interact. energy: -0.357
local terms energy: -681.639298
where:
bonds (distance) C4'-P energy: -115.429
bonds (distance) P-C4' energy: -125.490
flat angles C4'-P-C4' energy: -146.401
flat angles P-C4'-P energy: -99.742
tors. eta vs tors. theta energy: -194.577
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: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2072.718860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.718860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.718860 (E_RNA)
where:
Base-Base interactions energy: -1433.226
where: short stacking energy: -631.857
Base-Backbone interact. energy: 0.193
local terms energy: -639.686222
where:
bonds (distance) C4'-P energy: -122.458
bonds (distance) P-C4' energy: -133.466
flat angles C4'-P-C4' energy: -124.238
flat angles P-C4'-P energy: -86.185
tors. eta vs tors. theta energy: -173.339
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: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1938.483954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.483954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.483954 (E_RNA)
where:
Base-Base interactions energy: -1307.262
where: short stacking energy: -569.753
Base-Backbone interact. energy: -3.773
local terms energy: -627.448780
where:
bonds (distance) C4'-P energy: -118.577
bonds (distance) P-C4' energy: -112.567
flat angles C4'-P-C4' energy: -143.173
flat angles P-C4'-P energy: -98.256
tors. eta vs tors. theta energy: -154.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1723.809656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.809656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.809656 (E_RNA)
where:
Base-Base interactions energy: -1151.942
where: short stacking energy: -473.450
Base-Backbone interact. energy: 0.125
local terms energy: -571.992455
where:
bonds (distance) C4'-P energy: -116.147
bonds (distance) P-C4' energy: -121.551
flat angles C4'-P-C4' energy: -118.957
flat angles P-C4'-P energy: -94.959
tors. eta vs tors. theta energy: -120.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1737.753998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.753998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.753998 (E_RNA)
where:
Base-Base interactions energy: -1182.014
where: short stacking energy: -507.183
Base-Backbone interact. energy: -0.744
local terms energy: -554.996028
where:
bonds (distance) C4'-P energy: -97.657
bonds (distance) P-C4' energy: -106.429
flat angles C4'-P-C4' energy: -134.099
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -144.891
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: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1538.778146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.778146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.778146 (E_RNA)
where:
Base-Base interactions energy: -1023.144
where: short stacking energy: -451.900
Base-Backbone interact. energy: -1.872
local terms energy: -513.762372
where:
bonds (distance) C4'-P energy: -101.052
bonds (distance) P-C4' energy: -107.852
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -66.721
tors. eta vs tors. theta energy: -108.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -963.907207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.907207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.907207 (E_RNA)
where:
Base-Base interactions energy: -574.997
where: short stacking energy: -282.444
Base-Backbone interact. energy: 1.707
local terms energy: -390.617752
where:
bonds (distance) C4'-P energy: -108.109
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -97.141
flat angles P-C4'-P energy: -66.152
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -579.609707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.609707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.609707 (E_RNA)
where:
Base-Base interactions energy: -250.879
where: short stacking energy: -153.581
Base-Backbone interact. energy: -0.344
local terms energy: -328.386504
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -98.910
flat angles C4'-P-C4' energy: -97.342
flat angles P-C4'-P energy: -62.486
tors. eta vs tors. theta energy: 20.106
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: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2408.234130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.234130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.234130 (E_RNA)
where:
Base-Base interactions energy: -1704.589
where: short stacking energy: -682.782
Base-Backbone interact. energy: -3.631
local terms energy: -700.013543
where:
bonds (distance) C4'-P energy: -139.816
bonds (distance) P-C4' energy: -125.563
flat angles C4'-P-C4' energy: -150.682
flat angles P-C4'-P energy: -98.450
tors. eta vs tors. theta energy: -185.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2291.872346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.872346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.872346 (E_RNA)
where:
Base-Base interactions energy: -1608.221
where: short stacking energy: -638.165
Base-Backbone interact. energy: -3.196
local terms energy: -680.455415
where:
bonds (distance) C4'-P energy: -145.781
bonds (distance) P-C4' energy: -110.224
flat angles C4'-P-C4' energy: -151.364
flat angles P-C4'-P energy: -98.484
tors. eta vs tors. theta energy: -174.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2173.036407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.036407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.036407 (E_RNA)
where:
Base-Base interactions energy: -1498.350
where: short stacking energy: -651.679
Base-Backbone interact. energy: -0.910
local terms energy: -673.775736
where:
bonds (distance) C4'-P energy: -125.125
bonds (distance) P-C4' energy: -128.191
flat angles C4'-P-C4' energy: -129.012
flat angles P-C4'-P energy: -96.514
tors. eta vs tors. theta energy: -194.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2106.102327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.102327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.102327 (E_RNA)
where:
Base-Base interactions energy: -1413.164
where: short stacking energy: -634.060
Base-Backbone interact. energy: -0.414
local terms energy: -692.524226
where:
bonds (distance) C4'-P energy: -131.147
bonds (distance) P-C4' energy: -131.849
flat angles C4'-P-C4' energy: -146.371
flat angles P-C4'-P energy: -87.421
tors. eta vs tors. theta energy: -195.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1935.147665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.147665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.147665 (E_RNA)
where:
Base-Base interactions energy: -1291.210
where: short stacking energy: -565.515
Base-Backbone interact. energy: 4.171
local terms energy: -648.108205
where:
bonds (distance) C4'-P energy: -128.734
bonds (distance) P-C4' energy: -127.136
flat angles C4'-P-C4' energy: -124.873
flat angles P-C4'-P energy: -87.767
tors. eta vs tors. theta energy: -179.598
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: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1764.392057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.392057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.392057 (E_RNA)
where:
Base-Base interactions energy: -1181.174
where: short stacking energy: -518.902
Base-Backbone interact. energy: -3.914
local terms energy: -579.303622
where:
bonds (distance) C4'-P energy: -107.917
bonds (distance) P-C4' energy: -124.974
flat angles C4'-P-C4' energy: -134.174
flat angles P-C4'-P energy: -79.657
tors. eta vs tors. theta energy: -132.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1657.302803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.302803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.302803 (E_RNA)
where:
Base-Base interactions energy: -1109.956
where: short stacking energy: -487.109
Base-Backbone interact. energy: -3.413
local terms energy: -543.933899
where:
bonds (distance) C4'-P energy: -105.981
bonds (distance) P-C4' energy: -117.675
flat angles C4'-P-C4' energy: -117.841
flat angles P-C4'-P energy: -78.632
tors. eta vs tors. theta energy: -123.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1518.576014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.576014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.576014 (E_RNA)
where:
Base-Base interactions energy: -985.533
where: short stacking energy: -437.234
Base-Backbone interact. energy: -0.068
local terms energy: -532.975122
where:
bonds (distance) C4'-P energy: -99.833
bonds (distance) P-C4' energy: -128.048
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -72.660
tors. eta vs tors. theta energy: -119.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -931.076810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.076810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.076810 (E_RNA)
where:
Base-Base interactions energy: -569.351
where: short stacking energy: -280.589
Base-Backbone interact. energy: -3.415
local terms energy: -358.311265
where:
bonds (distance) C4'-P energy: -98.306
bonds (distance) P-C4' energy: -91.750
flat angles C4'-P-C4' energy: -105.206
flat angles P-C4'-P energy: -43.630
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -670.335810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.335810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.335810 (E_RNA)
where:
Base-Base interactions energy: -333.018
where: short stacking energy: -220.027
Base-Backbone interact. energy: 1.720
local terms energy: -339.037731
where:
bonds (distance) C4'-P energy: -102.700
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -92.170
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: 12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2420.302885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.302885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.302885 (E_RNA)
where:
Base-Base interactions energy: -1706.653
where: short stacking energy: -677.223
Base-Backbone interact. energy: -3.884
local terms energy: -709.766228
where:
bonds (distance) C4'-P energy: -135.365
bonds (distance) P-C4' energy: -135.438
flat angles C4'-P-C4' energy: -154.853
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -176.844
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2282.929365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.929365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.929365 (E_RNA)
where:
Base-Base interactions energy: -1610.382
where: short stacking energy: -642.331
Base-Backbone interact. energy: 5.193
local terms energy: -677.741077
where:
bonds (distance) C4'-P energy: -129.674
bonds (distance) P-C4' energy: -128.772
flat angles C4'-P-C4' energy: -158.398
flat angles P-C4'-P energy: -84.489
tors. eta vs tors. theta energy: -176.409
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: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2125.586903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.586903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.586903 (E_RNA)
where:
Base-Base interactions energy: -1439.209
where: short stacking energy: -649.069
Base-Backbone interact. energy: -5.126
local terms energy: -681.250967
where:
bonds (distance) C4'-P energy: -118.908
bonds (distance) P-C4' energy: -121.524
flat angles C4'-P-C4' energy: -150.150
flat angles P-C4'-P energy: -101.341
tors. eta vs tors. theta energy: -189.328
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: 438
Temperature: 1.050000
Total energy: -2130.303933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.303933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.303933 (E_RNA)
where:
Base-Base interactions energy: -1443.266
where: short stacking energy: -621.088
Base-Backbone interact. energy: -2.150
local terms energy: -684.887741
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -119.730
flat angles C4'-P-C4' energy: -145.613
flat angles P-C4'-P energy: -102.856
tors. eta vs tors. theta energy: -196.656
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: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1912.362721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.362721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.362721 (E_RNA)
where:
Base-Base interactions energy: -1285.073
where: short stacking energy: -535.714
Base-Backbone interact. energy: -2.484
local terms energy: -624.805958
where:
bonds (distance) C4'-P energy: -119.405
bonds (distance) P-C4' energy: -123.444
flat angles C4'-P-C4' energy: -131.167
flat angles P-C4'-P energy: -91.508
tors. eta vs tors. theta energy: -159.282
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: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1787.909475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.909475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.909475 (E_RNA)
where:
Base-Base interactions energy: -1212.808
where: short stacking energy: -547.848
Base-Backbone interact. energy: 3.322
local terms energy: -578.423619
where:
bonds (distance) C4'-P energy: -105.163
bonds (distance) P-C4' energy: -116.162
flat angles C4'-P-C4' energy: -125.439
flat angles P-C4'-P energy: -84.118
tors. eta vs tors. theta energy: -147.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1604.640521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.640521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.640521 (E_RNA)
where:
Base-Base interactions energy: -1092.857
where: short stacking energy: -462.374
Base-Backbone interact. energy: -2.406
local terms energy: -509.377924
where:
bonds (distance) C4'-P energy: -100.063
bonds (distance) P-C4' energy: -108.020
flat angles C4'-P-C4' energy: -125.847
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -113.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1509.136657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.136657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.136657 (E_RNA)
where:
Base-Base interactions energy: -972.317
where: short stacking energy: -417.638
Base-Backbone interact. energy: -0.665
local terms energy: -536.155312
where:
bonds (distance) C4'-P energy: -110.221
bonds (distance) P-C4' energy: -101.847
flat angles C4'-P-C4' energy: -132.306
flat angles P-C4'-P energy: -88.295
tors. eta vs tors. theta energy: -103.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -862.715660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.715660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.715660 (E_RNA)
where:
Base-Base interactions energy: -494.612
where: short stacking energy: -266.713
Base-Backbone interact. energy: -2.077
local terms energy: -366.027108
where:
bonds (distance) C4'-P energy: -103.053
bonds (distance) P-C4' energy: -112.289
flat angles C4'-P-C4' energy: -83.876
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -625.583128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.583128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.583128 (E_RNA)
where:
Base-Base interactions energy: -285.618
where: short stacking energy: -160.087
Base-Backbone interact. energy: -0.392
local terms energy: -339.573165
where:
bonds (distance) C4'-P energy: -95.381
bonds (distance) P-C4' energy: -111.308
flat angles C4'-P-C4' energy: -101.875
flat angles P-C4'-P energy: -37.030
tors. eta vs tors. theta energy: 6.021
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: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2404.013613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.013613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.013613 (E_RNA)
where:
Base-Base interactions energy: -1709.379
where: short stacking energy: -658.921
Base-Backbone interact. energy: -3.880
local terms energy: -690.754655
where:
bonds (distance) C4'-P energy: -143.735
bonds (distance) P-C4' energy: -124.156
flat angles C4'-P-C4' energy: -144.728
flat angles P-C4'-P energy: -102.513
tors. eta vs tors. theta energy: -175.622
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: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2292.500931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.500931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.500931 (E_RNA)
where:
Base-Base interactions energy: -1645.709
where: short stacking energy: -649.535
Base-Backbone interact. energy: -3.511
local terms energy: -643.280966
where:
bonds (distance) C4'-P energy: -120.925
bonds (distance) P-C4' energy: -110.318
flat angles C4'-P-C4' energy: -139.576
flat angles P-C4'-P energy: -88.503
tors. eta vs tors. theta energy: -183.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2157.511706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.511706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.511706 (E_RNA)
where:
Base-Base interactions energy: -1495.607
where: short stacking energy: -632.052
Base-Backbone interact. energy: -2.757
local terms energy: -659.147454
where:
bonds (distance) C4'-P energy: -120.624
bonds (distance) P-C4' energy: -132.280
flat angles C4'-P-C4' energy: -132.556
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -179.138
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: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2086.258055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.258055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.258055 (E_RNA)
where:
Base-Base interactions energy: -1435.687
where: short stacking energy: -641.015
Base-Backbone interact. energy: 0.741
local terms energy: -651.312741
where:
bonds (distance) C4'-P energy: -120.405
bonds (distance) P-C4' energy: -119.066
flat angles C4'-P-C4' energy: -134.577
flat angles P-C4'-P energy: -90.842
tors. eta vs tors. theta energy: -186.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1924.486447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.486447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.486447 (E_RNA)
where:
Base-Base interactions energy: -1298.670
where: short stacking energy: -586.688
Base-Backbone interact. energy: -1.883
local terms energy: -623.933642
where:
bonds (distance) C4'-P energy: -120.832
bonds (distance) P-C4' energy: -117.475
flat angles C4'-P-C4' energy: -136.831
flat angles P-C4'-P energy: -79.043
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: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1876.882842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.882842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.882842 (E_RNA)
where:
Base-Base interactions energy: -1259.812
where: short stacking energy: -530.505
Base-Backbone interact. energy: -0.594
local terms energy: -616.477528
where:
bonds (distance) C4'-P energy: -125.575
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -137.189
flat angles P-C4'-P energy: -97.114
tors. eta vs tors. theta energy: -144.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1608.530668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.530668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.530668 (E_RNA)
where:
Base-Base interactions energy: -1085.650
where: short stacking energy: -434.857
Base-Backbone interact. energy: -4.670
local terms energy: -518.211463
where:
bonds (distance) C4'-P energy: -109.002
bonds (distance) P-C4' energy: -116.194
flat angles C4'-P-C4' energy: -127.445
flat angles P-C4'-P energy: -75.241
tors. eta vs tors. theta energy: -90.329
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: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1452.254826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.254826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.254826 (E_RNA)
where:
Base-Base interactions energy: -984.361
where: short stacking energy: -415.385
Base-Backbone interact. energy: 2.841
local terms energy: -470.734618
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -103.637
flat angles C4'-P-C4' energy: -131.280
flat angles P-C4'-P energy: -53.404
tors. eta vs tors. theta energy: -78.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -850.204482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.204482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.204482 (E_RNA)
where:
Base-Base interactions energy: -463.679
where: short stacking energy: -253.102
Base-Backbone interact. energy: 0.112
local terms energy: -386.637186
where:
bonds (distance) C4'-P energy: -125.294
bonds (distance) P-C4' energy: -114.615
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -22.006
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: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -602.136266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.136266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.136266 (E_RNA)
where:
Base-Base interactions energy: -255.673
where: short stacking energy: -171.506
Base-Backbone interact. energy: 2.455
local terms energy: -348.917733
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -108.225
flat angles C4'-P-C4' energy: -91.763
flat angles P-C4'-P energy: -59.988
tors. eta vs tors. theta energy: 19.231
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: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2377.482786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.482786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.482786 (E_RNA)
where:
Base-Base interactions energy: -1704.953
where: short stacking energy: -673.205
Base-Backbone interact. energy: -4.737
local terms energy: -667.792180
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -132.143
flat angles C4'-P-C4' energy: -139.706
flat angles P-C4'-P energy: -97.557
tors. eta vs tors. theta energy: -182.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2283.621024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.621024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.621024 (E_RNA)
where:
Base-Base interactions energy: -1605.761
where: short stacking energy: -630.009
Base-Backbone interact. energy: -3.687
local terms energy: -674.173289
where:
bonds (distance) C4'-P energy: -123.234
bonds (distance) P-C4' energy: -125.420
flat angles C4'-P-C4' energy: -144.478
flat angles P-C4'-P energy: -98.838
tors. eta vs tors. theta energy: -182.202
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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2158.806187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.806187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.806187 (E_RNA)
where:
Base-Base interactions energy: -1504.375
where: short stacking energy: -628.981
Base-Backbone interact. energy: -3.717
local terms energy: -650.713607
where:
bonds (distance) C4'-P energy: -123.499
bonds (distance) P-C4' energy: -112.293
flat angles C4'-P-C4' energy: -146.290
flat angles P-C4'-P energy: -90.483
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: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2072.082814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.082814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.082814 (E_RNA)
where:
Base-Base interactions energy: -1397.412
where: short stacking energy: -623.758
Base-Backbone interact. energy: -0.195
local terms energy: -674.476086
where:
bonds (distance) C4'-P energy: -127.272
bonds (distance) P-C4' energy: -134.442
flat angles C4'-P-C4' energy: -138.543
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -195.834
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: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1914.594611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.594611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.594611 (E_RNA)
where:
Base-Base interactions energy: -1298.569
where: short stacking energy: -568.437
Base-Backbone interact. energy: 1.440
local terms energy: -617.466309
where:
bonds (distance) C4'-P energy: -120.606
bonds (distance) P-C4' energy: -114.825
flat angles C4'-P-C4' energy: -135.302
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -156.519
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: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1865.338292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.338292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.338292 (E_RNA)
where:
Base-Base interactions energy: -1242.078
where: short stacking energy: -544.728
Base-Backbone interact. energy: -1.495
local terms energy: -621.765063
where:
bonds (distance) C4'-P energy: -125.740
bonds (distance) P-C4' energy: -135.442
flat angles C4'-P-C4' energy: -116.563
flat angles P-C4'-P energy: -89.152
tors. eta vs tors. theta energy: -154.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1561.322658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.322658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.322658 (E_RNA)
where:
Base-Base interactions energy: -1040.987
where: short stacking energy: -434.392
Base-Backbone interact. energy: 0.719
local terms energy: -521.054739
where:
bonds (distance) C4'-P energy: -129.436
bonds (distance) P-C4' energy: -117.191
flat angles C4'-P-C4' energy: -123.687
flat angles P-C4'-P energy: -61.378
tors. eta vs tors. theta energy: -89.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1438.997433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.997433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.997433 (E_RNA)
where:
Base-Base interactions energy: -946.767
where: short stacking energy: -392.155
Base-Backbone interact. energy: -1.524
local terms energy: -490.706869
where:
bonds (distance) C4'-P energy: -95.484
bonds (distance) P-C4' energy: -119.557
flat angles C4'-P-C4' energy: -120.837
flat angles P-C4'-P energy: -68.405
tors. eta vs tors. theta energy: -86.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -836.311055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.311055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.311055 (E_RNA)
where:
Base-Base interactions energy: -447.387
where: short stacking energy: -230.977
Base-Backbone interact. energy: -1.295
local terms energy: -387.629076
where:
bonds (distance) C4'-P energy: -101.832
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -101.749
flat angles P-C4'-P energy: -70.870
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -588.464001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.464001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.464001 (E_RNA)
where:
Base-Base interactions energy: -252.114
where: short stacking energy: -173.167
Base-Backbone interact. energy: 2.442
local terms energy: -338.792074
where:
bonds (distance) C4'-P energy: -94.936
bonds (distance) P-C4' energy: -90.055
flat angles C4'-P-C4' energy: -93.994
flat angles P-C4'-P energy: -56.782
tors. eta vs tors. theta energy: -3.025
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: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2369.474105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.474105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.474105 (E_RNA)
where:
Base-Base interactions energy: -1706.565
where: short stacking energy: -666.676
Base-Backbone interact. energy: -4.432
local terms energy: -658.477758
where:
bonds (distance) C4'-P energy: -107.740
bonds (distance) P-C4' energy: -145.207
flat angles C4'-P-C4' energy: -140.091
flat angles P-C4'-P energy: -94.392
tors. eta vs tors. theta energy: -171.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2323.341429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.341429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.341429 (E_RNA)
where:
Base-Base interactions energy: -1636.610
where: short stacking energy: -662.551
Base-Backbone interact. energy: -1.013
local terms energy: -685.718565
where:
bonds (distance) C4'-P energy: -119.863
bonds (distance) P-C4' energy: -119.084
flat angles C4'-P-C4' energy: -139.123
flat angles P-C4'-P energy: -117.738
tors. eta vs tors. theta energy: -189.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2123.498116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.498116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.498116 (E_RNA)
where:
Base-Base interactions energy: -1479.609
where: short stacking energy: -628.659
Base-Backbone interact. energy: -2.312
local terms energy: -641.576435
where:
bonds (distance) C4'-P energy: -129.172
bonds (distance) P-C4' energy: -122.196
flat angles C4'-P-C4' energy: -138.090
flat angles P-C4'-P energy: -73.405
tors. eta vs tors. theta energy: -178.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2082.275009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.275009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.275009 (E_RNA)
where:
Base-Base interactions energy: -1418.187
where: short stacking energy: -628.330
Base-Backbone interact. energy: 2.585
local terms energy: -666.673684
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -124.656
flat angles C4'-P-C4' energy: -133.058
flat angles P-C4'-P energy: -89.605
tors. eta vs tors. theta energy: -190.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1865.091099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.091099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.091099 (E_RNA)
where:
Base-Base interactions energy: -1266.773
where: short stacking energy: -533.484
Base-Backbone interact. energy: 1.151
local terms energy: -599.468887
where:
bonds (distance) C4'-P energy: -112.981
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -121.350
flat angles P-C4'-P energy: -83.712
tors. eta vs tors. theta energy: -156.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1871.485169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.485169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.485169 (E_RNA)
where:
Base-Base interactions energy: -1282.912
where: short stacking energy: -540.494
Base-Backbone interact. energy: -1.854
local terms energy: -586.718837
where:
bonds (distance) C4'-P energy: -116.923
bonds (distance) P-C4' energy: -107.646
flat angles C4'-P-C4' energy: -134.329
flat angles P-C4'-P energy: -75.968
tors. eta vs tors. theta energy: -151.852
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: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1532.502737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.502737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.502737 (E_RNA)
where:
Base-Base interactions energy: -1047.102
where: short stacking energy: -440.021
Base-Backbone interact. energy: -1.021
local terms energy: -484.379753
where:
bonds (distance) C4'-P energy: -92.194
bonds (distance) P-C4' energy: -112.394
flat angles C4'-P-C4' energy: -108.820
flat angles P-C4'-P energy: -68.092
tors. eta vs tors. theta energy: -102.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1437.031454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.031454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.031454 (E_RNA)
where:
Base-Base interactions energy: -936.140
where: short stacking energy: -412.733
Base-Backbone interact. energy: -1.632
local terms energy: -499.258916
where:
bonds (distance) C4'-P energy: -100.839
bonds (distance) P-C4' energy: -116.606
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -62.568
tors. eta vs tors. theta energy: -109.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -718.049314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.049314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.049314 (E_RNA)
where:
Base-Base interactions energy: -332.153
where: short stacking energy: -160.228
Base-Backbone interact. energy: -0.788
local terms energy: -385.107762
where:
bonds (distance) C4'-P energy: -98.964
bonds (distance) P-C4' energy: -124.723
flat angles C4'-P-C4' energy: -112.228
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: 11.166
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: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -597.027494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.027494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.027494 (E_RNA)
where:
Base-Base interactions energy: -262.890
where: short stacking energy: -188.449
Base-Backbone interact. energy: -1.106
local terms energy: -333.031530
where:
bonds (distance) C4'-P energy: -93.135
bonds (distance) P-C4' energy: -105.665
flat angles C4'-P-C4' energy: -107.311
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: 16.610
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: 442
Temperature: 0.900000
Total energy: -2355.086692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.086692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.086692 (E_RNA)
where:
Base-Base interactions energy: -1660.597
where: short stacking energy: -688.460
Base-Backbone interact. energy: -4.406
local terms energy: -690.084261
where:
bonds (distance) C4'-P energy: -135.134
bonds (distance) P-C4' energy: -123.866
flat angles C4'-P-C4' energy: -147.243
flat angles P-C4'-P energy: -97.548
tors. eta vs tors. theta energy: -186.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2315.255774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.255774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.255774 (E_RNA)
where:
Base-Base interactions energy: -1648.240
where: short stacking energy: -662.116
Base-Backbone interact. energy: -3.304
local terms energy: -663.711447
where:
bonds (distance) C4'-P energy: -116.852
bonds (distance) P-C4' energy: -116.222
flat angles C4'-P-C4' energy: -147.640
flat angles P-C4'-P energy: -106.046
tors. eta vs tors. theta energy: -176.951
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: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2130.300347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.300347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.300347 (E_RNA)
where:
Base-Base interactions energy: -1457.685
where: short stacking energy: -640.299
Base-Backbone interact. energy: 0.721
local terms energy: -673.336484
where:
bonds (distance) C4'-P energy: -127.217
bonds (distance) P-C4' energy: -128.311
flat angles C4'-P-C4' energy: -143.400
flat angles P-C4'-P energy: -91.733
tors. eta vs tors. theta energy: -182.675
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: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2091.821086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.821086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.821086 (E_RNA)
where:
Base-Base interactions energy: -1456.783
where: short stacking energy: -617.044
Base-Backbone interact. energy: -1.407
local terms energy: -633.631477
where:
bonds (distance) C4'-P energy: -106.616
bonds (distance) P-C4' energy: -120.092
flat angles C4'-P-C4' energy: -139.867
flat angles P-C4'-P energy: -88.213
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: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1961.636709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.636709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.636709 (E_RNA)
where:
Base-Base interactions energy: -1331.401
where: short stacking energy: -571.460
Base-Backbone interact. energy: -6.231
local terms energy: -624.004741
where:
bonds (distance) C4'-P energy: -108.823
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -125.165
flat angles P-C4'-P energy: -91.846
tors. eta vs tors. theta energy: -174.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1835.442618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.442618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.442618 (E_RNA)
where:
Base-Base interactions energy: -1231.335
where: short stacking energy: -541.153
Base-Backbone interact. energy: 2.059
local terms energy: -606.167042
where:
bonds (distance) C4'-P energy: -111.777
bonds (distance) P-C4' energy: -125.171
flat angles C4'-P-C4' energy: -136.386
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -152.373
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: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1533.075261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.075261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.075261 (E_RNA)
where:
Base-Base interactions energy: -1015.078
where: short stacking energy: -415.842
Base-Backbone interact. energy: -1.911
local terms energy: -516.086528
where:
bonds (distance) C4'-P energy: -105.700
bonds (distance) P-C4' energy: -105.680
flat angles C4'-P-C4' energy: -108.757
flat angles P-C4'-P energy: -85.683
tors. eta vs tors. theta energy: -110.267
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: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1465.056308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.056308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.056308 (E_RNA)
where:
Base-Base interactions energy: -974.145
where: short stacking energy: -436.928
Base-Backbone interact. energy: 4.576
local terms energy: -495.487044
where:
bonds (distance) C4'-P energy: -91.955
bonds (distance) P-C4' energy: -112.203
flat angles C4'-P-C4' energy: -114.104
flat angles P-C4'-P energy: -77.559
tors. eta vs tors. theta energy: -99.666
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: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -797.915003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.915003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.915003 (E_RNA)
where:
Base-Base interactions energy: -402.986
where: short stacking energy: -233.802
Base-Backbone interact. energy: 1.129
local terms energy: -396.058860
where:
bonds (distance) C4'-P energy: -109.597
bonds (distance) P-C4' energy: -125.222
flat angles C4'-P-C4' energy: -97.279
flat angles P-C4'-P energy: -57.565
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -763.445777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.445777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.445777 (E_RNA)
where:
Base-Base interactions energy: -386.151
where: short stacking energy: -221.666
Base-Backbone interact. energy: 1.404
local terms energy: -378.698937
where:
bonds (distance) C4'-P energy: -101.905
bonds (distance) P-C4' energy: -120.001
flat angles C4'-P-C4' energy: -91.300
flat angles P-C4'-P energy: -51.262
tors. eta vs tors. theta energy: -14.232
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: 443
Temperature: 0.900000
Total energy: -2352.150351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.150351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.150351 (E_RNA)
where:
Base-Base interactions energy: -1651.033
where: short stacking energy: -677.410
Base-Backbone interact. energy: -0.726
local terms energy: -700.391059
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -128.525
flat angles C4'-P-C4' energy: -151.374
flat angles P-C4'-P energy: -98.231
tors. eta vs tors. theta energy: -197.878
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: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2364.102249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.102249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.102249 (E_RNA)
where:
Base-Base interactions energy: -1680.193
where: short stacking energy: -673.972
Base-Backbone interact. energy: 0.263
local terms energy: -684.172624
where:
bonds (distance) C4'-P energy: -128.441
bonds (distance) P-C4' energy: -122.694
flat angles C4'-P-C4' energy: -155.119
flat angles P-C4'-P energy: -94.894
tors. eta vs tors. theta energy: -183.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2137.760870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.760870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.760870 (E_RNA)
where:
Base-Base interactions energy: -1470.098
where: short stacking energy: -651.775
Base-Backbone interact. energy: -2.829
local terms energy: -664.834292
where:
bonds (distance) C4'-P energy: -126.969
bonds (distance) P-C4' energy: -121.842
flat angles C4'-P-C4' energy: -140.442
flat angles P-C4'-P energy: -82.098
tors. eta vs tors. theta energy: -193.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2101.072701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.072701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.072701 (E_RNA)
where:
Base-Base interactions energy: -1427.064
where: short stacking energy: -645.199
Base-Backbone interact. energy: -1.894
local terms energy: -672.114263
where:
bonds (distance) C4'-P energy: -118.399
bonds (distance) P-C4' energy: -130.115
flat angles C4'-P-C4' energy: -141.948
flat angles P-C4'-P energy: -91.555
tors. eta vs tors. theta energy: -190.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1925.828648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.828648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.828648 (E_RNA)
where:
Base-Base interactions energy: -1294.584
where: short stacking energy: -561.995
Base-Backbone interact. energy: 3.507
local terms energy: -634.751492
where:
bonds (distance) C4'-P energy: -123.229
bonds (distance) P-C4' energy: -132.479
flat angles C4'-P-C4' energy: -143.767
flat angles P-C4'-P energy: -87.912
tors. eta vs tors. theta energy: -147.365
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: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1862.761332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.761332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.761332 (E_RNA)
where:
Base-Base interactions energy: -1259.170
where: short stacking energy: -560.044
Base-Backbone interact. energy: -1.016
local terms energy: -602.575309
where:
bonds (distance) C4'-P energy: -114.633
bonds (distance) P-C4' energy: -119.221
flat angles C4'-P-C4' energy: -144.162
flat angles P-C4'-P energy: -72.341
tors. eta vs tors. theta energy: -152.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1586.708340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.708340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.708340 (E_RNA)
where:
Base-Base interactions energy: -1055.436
where: short stacking energy: -455.721
Base-Backbone interact. energy: 1.101
local terms energy: -532.373313
where:
bonds (distance) C4'-P energy: -106.760
bonds (distance) P-C4' energy: -112.255
flat angles C4'-P-C4' energy: -123.281
flat angles P-C4'-P energy: -76.792
tors. eta vs tors. theta energy: -113.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1484.684391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.684391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.684391 (E_RNA)
where:
Base-Base interactions energy: -970.093
where: short stacking energy: -451.189
Base-Backbone interact. energy: -1.485
local terms energy: -513.106782
where:
bonds (distance) C4'-P energy: -97.486
bonds (distance) P-C4' energy: -116.194
flat angles C4'-P-C4' energy: -128.375
flat angles P-C4'-P energy: -62.189
tors. eta vs tors. theta energy: -108.862
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: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -760.066371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.066371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.066371 (E_RNA)
where:
Base-Base interactions energy: -395.488
where: short stacking energy: -220.397
Base-Backbone interact. energy: 0.056
local terms energy: -364.634705
where:
bonds (distance) C4'-P energy: -87.164
bonds (distance) P-C4' energy: -98.571
flat angles C4'-P-C4' energy: -107.419
flat angles P-C4'-P energy: -63.585
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -750.791930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.791930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.791930 (E_RNA)
where:
Base-Base interactions energy: -411.439
where: short stacking energy: -200.052
Base-Backbone interact. energy: -0.022
local terms energy: -339.331219
where:
bonds (distance) C4'-P energy: -109.972
bonds (distance) P-C4' energy: -89.786
flat angles C4'-P-C4' energy: -77.216
flat angles P-C4'-P energy: -53.646
tors. eta vs tors. theta energy: -8.712
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: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2355.211376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.211376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.211376 (E_RNA)
where:
Base-Base interactions energy: -1651.139
where: short stacking energy: -665.989
Base-Backbone interact. energy: 2.541
local terms energy: -706.613101
where:
bonds (distance) C4'-P energy: -134.536
bonds (distance) P-C4' energy: -144.289
flat angles C4'-P-C4' energy: -143.545
flat angles P-C4'-P energy: -96.196
tors. eta vs tors. theta energy: -188.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2388.371930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.371930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.371930 (E_RNA)
where:
Base-Base interactions energy: -1694.249
where: short stacking energy: -698.988
Base-Backbone interact. energy: -2.392
local terms energy: -691.731361
where:
bonds (distance) C4'-P energy: -119.269
bonds (distance) P-C4' energy: -133.657
flat angles C4'-P-C4' energy: -147.086
flat angles P-C4'-P energy: -104.891
tors. eta vs tors. theta energy: -186.829
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: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2141.953144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.953144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.953144 (E_RNA)
where:
Base-Base interactions energy: -1475.027
where: short stacking energy: -653.003
Base-Backbone interact. energy: -1.868
local terms energy: -665.058007
where:
bonds (distance) C4'-P energy: -120.543
bonds (distance) P-C4' energy: -123.224
flat angles C4'-P-C4' energy: -147.304
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: -194.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2106.617660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.617660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.617660 (E_RNA)
where:
Base-Base interactions energy: -1457.195
where: short stacking energy: -623.120
Base-Backbone interact. energy: -2.335
local terms energy: -647.087269
where:
bonds (distance) C4'-P energy: -117.776
bonds (distance) P-C4' energy: -120.205
flat angles C4'-P-C4' energy: -138.844
flat angles P-C4'-P energy: -87.772
tors. eta vs tors. theta energy: -182.490
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: 444
Temperature: 1.100000
Total energy: -1925.895780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.895780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.895780 (E_RNA)
where:
Base-Base interactions energy: -1286.647
where: short stacking energy: -541.887
Base-Backbone interact. energy: -2.320
local terms energy: -636.929402
where:
bonds (distance) C4'-P energy: -122.164
bonds (distance) P-C4' energy: -126.494
flat angles C4'-P-C4' energy: -141.978
flat angles P-C4'-P energy: -93.339
tors. eta vs tors. theta energy: -152.955
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: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1877.238495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.238495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.238495 (E_RNA)
where:
Base-Base interactions energy: -1297.642
where: short stacking energy: -558.235
Base-Backbone interact. energy: -1.784
local terms energy: -577.812345
where:
bonds (distance) C4'-P energy: -104.469
bonds (distance) P-C4' energy: -104.852
flat angles C4'-P-C4' energy: -133.979
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -163.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1596.865541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.865541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.865541 (E_RNA)
where:
Base-Base interactions energy: -1074.568
where: short stacking energy: -446.624
Base-Backbone interact. energy: -0.757
local terms energy: -521.540639
where:
bonds (distance) C4'-P energy: -94.962
bonds (distance) P-C4' energy: -115.271
flat angles C4'-P-C4' energy: -123.052
flat angles P-C4'-P energy: -84.554
tors. eta vs tors. theta energy: -103.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1476.885281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.885281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.885281 (E_RNA)
where:
Base-Base interactions energy: -941.119
where: short stacking energy: -417.869
Base-Backbone interact. energy: -1.868
local terms energy: -533.898960
where:
bonds (distance) C4'-P energy: -111.683
bonds (distance) P-C4' energy: -129.579
flat angles C4'-P-C4' energy: -109.835
flat angles P-C4'-P energy: -71.581
tors. eta vs tors. theta energy: -111.221
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: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -745.923605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.923605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.923605 (E_RNA)
where:
Base-Base interactions energy: -371.540
where: short stacking energy: -218.457
Base-Backbone interact. energy: -0.100
local terms energy: -374.284374
where:
bonds (distance) C4'-P energy: -116.562
bonds (distance) P-C4' energy: -117.739
flat angles C4'-P-C4' energy: -86.842
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -725.857180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.857180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.857180 (E_RNA)
where:
Base-Base interactions energy: -384.156
where: short stacking energy: -220.947
Base-Backbone interact. energy: 1.993
local terms energy: -343.694887
where:
bonds (distance) C4'-P energy: -108.563
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -94.054
flat angles P-C4'-P energy: -58.969
tors. eta vs tors. theta energy: 10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2351.512246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.512246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.512246 (E_RNA)
where:
Base-Base interactions energy: -1643.411
where: short stacking energy: -666.109
Base-Backbone interact. energy: -1.140
local terms energy: -706.961223
where:
bonds (distance) C4'-P energy: -137.213
bonds (distance) P-C4' energy: -134.548
flat angles C4'-P-C4' energy: -150.556
flat angles P-C4'-P energy: -96.415
tors. eta vs tors. theta energy: -188.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2359.704525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.704525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.704525 (E_RNA)
where:
Base-Base interactions energy: -1673.561
where: short stacking energy: -675.859
Base-Backbone interact. energy: -4.107
local terms energy: -682.036397
where:
bonds (distance) C4'-P energy: -131.878
bonds (distance) P-C4' energy: -119.287
flat angles C4'-P-C4' energy: -143.569
flat angles P-C4'-P energy: -107.662
tors. eta vs tors. theta energy: -179.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2147.449115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.449115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.449115 (E_RNA)
where:
Base-Base interactions energy: -1477.087
where: short stacking energy: -635.210
Base-Backbone interact. energy: 1.970
local terms energy: -672.332808
where:
bonds (distance) C4'-P energy: -115.690
bonds (distance) P-C4' energy: -135.238
flat angles C4'-P-C4' energy: -136.687
flat angles P-C4'-P energy: -90.105
tors. eta vs tors. theta energy: -194.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2087.607753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.607753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.607753 (E_RNA)
where:
Base-Base interactions energy: -1414.047
where: short stacking energy: -638.883
Base-Backbone interact. energy: 1.233
local terms energy: -674.793602
where:
bonds (distance) C4'-P energy: -119.163
bonds (distance) P-C4' energy: -112.965
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -104.730
tors. eta vs tors. theta energy: -206.669
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: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1967.384291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.384291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.384291 (E_RNA)
where:
Base-Base interactions energy: -1353.535
where: short stacking energy: -578.183
Base-Backbone interact. energy: -1.589
local terms energy: -612.259758
where:
bonds (distance) C4'-P energy: -115.758
bonds (distance) P-C4' energy: -112.510
flat angles C4'-P-C4' energy: -126.079
flat angles P-C4'-P energy: -91.162
tors. eta vs tors. theta energy: -166.750
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1842.883572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.883572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.883572 (E_RNA)
where:
Base-Base interactions energy: -1238.490
where: short stacking energy: -533.217
Base-Backbone interact. energy: -1.557
local terms energy: -602.837020
where:
bonds (distance) C4'-P energy: -115.407
bonds (distance) P-C4' energy: -124.768
flat angles C4'-P-C4' energy: -136.881
flat angles P-C4'-P energy: -77.611
tors. eta vs tors. theta energy: -148.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1615.210388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.210388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.210388 (E_RNA)
where:
Base-Base interactions energy: -1052.669
where: short stacking energy: -449.477
Base-Backbone interact. energy: 4.077
local terms energy: -566.618227
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -120.293
flat angles C4'-P-C4' energy: -125.760
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -118.501
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: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1415.426784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.426784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.426784 (E_RNA)
where:
Base-Base interactions energy: -932.913
where: short stacking energy: -403.718
Base-Backbone interact. energy: -1.558
local terms energy: -480.956099
where:
bonds (distance) C4'-P energy: -117.920
bonds (distance) P-C4' energy: -94.208
flat angles C4'-P-C4' energy: -111.813
flat angles P-C4'-P energy: -69.591
tors. eta vs tors. theta energy: -87.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -747.125771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.125771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.125771 (E_RNA)
where:
Base-Base interactions energy: -376.385
where: short stacking energy: -207.465
Base-Backbone interact. energy: -2.086
local terms energy: -368.654918
where:
bonds (distance) C4'-P energy: -90.429
bonds (distance) P-C4' energy: -111.198
flat angles C4'-P-C4' energy: -100.508
flat angles P-C4'-P energy: -70.322
tors. eta vs tors. theta energy: 3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -701.482923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.482923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.482923 (E_RNA)
where:
Base-Base interactions energy: -333.592
where: short stacking energy: -173.317
Base-Backbone interact. energy: 1.204
local terms energy: -369.095518
where:
bonds (distance) C4'-P energy: -116.148
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -102.722
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: 19.138
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: 446
Temperature: 0.900000
Total energy: -2369.952505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.952505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.952505 (E_RNA)
where:
Base-Base interactions energy: -1654.364
where: short stacking energy: -666.187
Base-Backbone interact. energy: -3.757
local terms energy: -711.831081
where:
bonds (distance) C4'-P energy: -141.602
bonds (distance) P-C4' energy: -137.359
flat angles C4'-P-C4' energy: -140.373
flat angles P-C4'-P energy: -106.825
tors. eta vs tors. theta energy: -185.672
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: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2330.416027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.416027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.416027 (E_RNA)
where:
Base-Base interactions energy: -1655.791
where: short stacking energy: -654.723
Base-Backbone interact. energy: -0.933
local terms energy: -673.692156
where:
bonds (distance) C4'-P energy: -122.107
bonds (distance) P-C4' energy: -128.658
flat angles C4'-P-C4' energy: -157.321
flat angles P-C4'-P energy: -94.999
tors. eta vs tors. theta energy: -170.608
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2131.283632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.283632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.283632 (E_RNA)
where:
Base-Base interactions energy: -1438.916
where: short stacking energy: -626.574
Base-Backbone interact. energy: 0.562
local terms energy: -692.929370
where:
bonds (distance) C4'-P energy: -128.906
bonds (distance) P-C4' energy: -133.005
flat angles C4'-P-C4' energy: -148.608
flat angles P-C4'-P energy: -97.457
tors. eta vs tors. theta energy: -184.954
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: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2096.369370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.369370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.369370 (E_RNA)
where:
Base-Base interactions energy: -1425.418
where: short stacking energy: -641.220
Base-Backbone interact. energy: 2.284
local terms energy: -673.235954
where:
bonds (distance) C4'-P energy: -129.785
bonds (distance) P-C4' energy: -118.650
flat angles C4'-P-C4' energy: -135.679
flat angles P-C4'-P energy: -93.934
tors. eta vs tors. theta energy: -195.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1942.177901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.177901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.177901 (E_RNA)
where:
Base-Base interactions energy: -1344.707
where: short stacking energy: -571.146
Base-Backbone interact. energy: -1.155
local terms energy: -596.316352
where:
bonds (distance) C4'-P energy: -108.742
bonds (distance) P-C4' energy: -127.433
flat angles C4'-P-C4' energy: -123.725
flat angles P-C4'-P energy: -78.891
tors. eta vs tors. theta energy: -157.525
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: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1842.488134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.488134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.488134 (E_RNA)
where:
Base-Base interactions energy: -1259.998
where: short stacking energy: -550.147
Base-Backbone interact. energy: -0.078
local terms energy: -582.412278
where:
bonds (distance) C4'-P energy: -116.041
bonds (distance) P-C4' energy: -112.598
flat angles C4'-P-C4' energy: -144.100
flat angles P-C4'-P energy: -58.594
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: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1680.094146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.094146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.094146 (E_RNA)
where:
Base-Base interactions energy: -1140.426
where: short stacking energy: -477.440
Base-Backbone interact. energy: 0.753
local terms energy: -540.422053
where:
bonds (distance) C4'-P energy: -116.360
bonds (distance) P-C4' energy: -128.408
flat angles C4'-P-C4' energy: -105.582
flat angles P-C4'-P energy: -66.101
tors. eta vs tors. theta energy: -123.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1474.118548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.118548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.118548 (E_RNA)
where:
Base-Base interactions energy: -985.649
where: short stacking energy: -451.291
Base-Backbone interact. energy: 7.927
local terms energy: -496.396177
where:
bonds (distance) C4'-P energy: -111.277
bonds (distance) P-C4' energy: -108.580
flat angles C4'-P-C4' energy: -113.074
flat angles P-C4'-P energy: -62.365
tors. eta vs tors. theta energy: -101.101
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: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -876.751217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.751217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.751217 (E_RNA)
where:
Base-Base interactions energy: -479.048
where: short stacking energy: -265.591
Base-Backbone interact. energy: -3.351
local terms energy: -394.351915
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -100.575
flat angles P-C4'-P energy: -50.839
tors. eta vs tors. theta energy: -39.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -669.673147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.673147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.673147 (E_RNA)
where:
Base-Base interactions energy: -296.691
where: short stacking energy: -186.187
Base-Backbone interact. energy: 4.067
local terms energy: -377.048657
where:
bonds (distance) C4'-P energy: -118.495
bonds (distance) P-C4' energy: -116.172
flat angles C4'-P-C4' energy: -83.752
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -10.519
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: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2362.815773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.815773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.815773 (E_RNA)
where:
Base-Base interactions energy: -1673.811
where: short stacking energy: -673.668
Base-Backbone interact. energy: 4.879
local terms energy: -693.883755
where:
bonds (distance) C4'-P energy: -133.954
bonds (distance) P-C4' energy: -127.383
flat angles C4'-P-C4' energy: -153.934
flat angles P-C4'-P energy: -86.259
tors. eta vs tors. theta energy: -192.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2311.864046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.864046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.864046 (E_RNA)
where:
Base-Base interactions energy: -1635.655
where: short stacking energy: -660.307
Base-Backbone interact. energy: -3.902
local terms energy: -672.307666
where:
bonds (distance) C4'-P energy: -126.622
bonds (distance) P-C4' energy: -141.718
flat angles C4'-P-C4' energy: -147.327
flat angles P-C4'-P energy: -86.555
tors. eta vs tors. theta energy: -170.087
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2169.352131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.352131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.352131 (E_RNA)
where:
Base-Base interactions energy: -1493.796
where: short stacking energy: -642.070
Base-Backbone interact. energy: -2.716
local terms energy: -672.840528
where:
bonds (distance) C4'-P energy: -132.597
bonds (distance) P-C4' energy: -101.331
flat angles C4'-P-C4' energy: -146.872
flat angles P-C4'-P energy: -98.404
tors. eta vs tors. theta energy: -193.636
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: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2092.239497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.239497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.239497 (E_RNA)
where:
Base-Base interactions energy: -1419.394
where: short stacking energy: -630.709
Base-Backbone interact. energy: -0.866
local terms energy: -671.978888
where:
bonds (distance) C4'-P energy: -131.450
bonds (distance) P-C4' energy: -136.243
flat angles C4'-P-C4' energy: -136.679
flat angles P-C4'-P energy: -83.996
tors. eta vs tors. theta energy: -183.611
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: 447
Temperature: 1.100000
Total energy: -1967.441884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.441884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.441884 (E_RNA)
where:
Base-Base interactions energy: -1345.793
where: short stacking energy: -577.108
Base-Backbone interact. energy: -2.783
local terms energy: -618.865896
where:
bonds (distance) C4'-P energy: -103.492
bonds (distance) P-C4' energy: -111.222
flat angles C4'-P-C4' energy: -142.480
flat angles P-C4'-P energy: -96.003
tors. eta vs tors. theta energy: -165.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1832.346261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.346261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.346261 (E_RNA)
where:
Base-Base interactions energy: -1220.316
where: short stacking energy: -519.478
Base-Backbone interact. energy: -2.288
local terms energy: -609.741470
where:
bonds (distance) C4'-P energy: -103.200
bonds (distance) P-C4' energy: -134.503
flat angles C4'-P-C4' energy: -130.675
flat angles P-C4'-P energy: -94.047
tors. eta vs tors. theta energy: -147.316
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: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1661.602919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.602919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.602919 (E_RNA)
where:
Base-Base interactions energy: -1136.635
where: short stacking energy: -504.533
Base-Backbone interact. energy: -2.178
local terms energy: -522.789847
where:
bonds (distance) C4'-P energy: -104.934
bonds (distance) P-C4' energy: -115.941
flat angles C4'-P-C4' energy: -110.490
flat angles P-C4'-P energy: -75.022
tors. eta vs tors. theta energy: -116.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1386.090874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.090874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.090874 (E_RNA)
where:
Base-Base interactions energy: -924.578
where: short stacking energy: -401.191
Base-Backbone interact. energy: 1.662
local terms energy: -463.174527
where:
bonds (distance) C4'-P energy: -109.126
bonds (distance) P-C4' energy: -99.549
flat angles C4'-P-C4' energy: -95.105
flat angles P-C4'-P energy: -60.086
tors. eta vs tors. theta energy: -99.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -831.502960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.502960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.502960 (E_RNA)
where:
Base-Base interactions energy: -439.825
where: short stacking energy: -244.127
Base-Backbone interact. energy: 0.152
local terms energy: -391.829650
where:
bonds (distance) C4'-P energy: -108.909
bonds (distance) P-C4' energy: -102.483
flat angles C4'-P-C4' energy: -98.356
flat angles P-C4'-P energy: -61.732
tors. eta vs tors. theta energy: -20.349
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: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -700.081264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.081264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.081264 (E_RNA)
where:
Base-Base interactions energy: -319.147
where: short stacking energy: -199.555
Base-Backbone interact. energy: 2.897
local terms energy: -383.830951
where:
bonds (distance) C4'-P energy: -112.149
bonds (distance) P-C4' energy: -113.086
flat angles C4'-P-C4' energy: -98.502
flat angles P-C4'-P energy: -55.887
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/I00-ee791744_01
DONE
DONE
DONE
DONE
DONE
DONE